USER MOD reduce.3.24.130724 H: found=0, std=0, add=1013, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 1011 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 MET CE :methyl 163:sc= -0.672 (180deg=-1) USER MOD Set 1.2: A 31 ASN : amide:sc= -1.37! C(o=-2!,f=-7.9!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -8.18! C(o=-8.2!,f=-17!) USER MOD Single : A 13 ASN :FLIP amide:sc= -2.1 F(o=-4.8,f=-2.1) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 ASN : amide:sc= -10.6! C(o=-11!,f=-11!) USER MOD Single : A 21 THR OG1 : rot 180:sc= -1.34 USER MOD Single : A 28 HIS : no HD1:sc= -0.596 X(o=-0.6,f=-0.35) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 152:sc= 1.77 (180deg=0.873) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.081 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.471 K(o=-0.47,f=-1.7) USER MOD Single : A 61 THR OG1 : rot 23:sc= 0.366 USER MOD Single : A 63 GLN : amide:sc= -4.05 K(o=-4,f=-10!) USER MOD Single : A 64 HIS : no HD1:sc= -0.448 X(o=-0.45,f=-0.43) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -164:sc= 0.192 (180deg=0.101) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HE2:sc= -1.78 X(o=-1.8,f=-1.4) USER MOD Single : A 81 THR OG1 : rot -167:sc= -1.68! USER MOD Single : A 97 LYS NZ :NH3+ 168:sc= 0.138 (180deg=0.106) USER MOD Single : A 100 GLN : amide:sc= -1.43 K(o=-1.4,f=-2!) USER MOD Single : A 105 MET CE :methyl 133:sc= -4.11 (180deg=-7!) USER MOD Single : A 106 SER OG : rot 74:sc= 0.108 USER MOD Single : A 111 ASN :FLIP amide:sc= 0.64 F(o=-0.04,f=0.64) USER MOD Single : A 119 ASN :FLIP amide:sc= -0.808 F(o=-4.9!,f=-0.81) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 42 N LYS A 3 14.627 11.347 3.416 1.00 0.00 N ATOM 43 CA LYS A 3 13.662 10.697 2.493 1.00 0.00 C ATOM 44 C LYS A 3 13.013 9.505 3.199 1.00 0.00 C ATOM 45 O LYS A 3 13.522 8.987 4.174 1.00 0.00 O ATOM 46 CB LYS A 3 14.402 10.227 1.227 1.00 0.00 C ATOM 47 CG LYS A 3 13.761 8.945 0.669 1.00 0.00 C ATOM 48 CD LYS A 3 14.532 8.486 -0.571 1.00 0.00 C ATOM 49 CE LYS A 3 15.651 7.527 -0.150 1.00 0.00 C ATOM 50 NZ LYS A 3 16.602 7.336 -1.283 1.00 0.00 N ATOM 0 HA LYS A 3 12.886 11.407 2.207 1.00 0.00 H new ATOM 0 HB2 LYS A 3 14.375 11.012 0.471 1.00 0.00 H new ATOM 0 HB3 LYS A 3 15.451 10.044 1.459 1.00 0.00 H new ATOM 0 HG2 LYS A 3 13.771 8.162 1.427 1.00 0.00 H new ATOM 0 HG3 LYS A 3 12.717 9.129 0.414 1.00 0.00 H new ATOM 0 HD2 LYS A 3 13.857 7.991 -1.269 1.00 0.00 H new ATOM 0 HD3 LYS A 3 14.953 9.347 -1.090 1.00 0.00 H new ATOM 0 HE2 LYS A 3 16.178 7.926 0.717 1.00 0.00 H new ATOM 0 HE3 LYS A 3 15.228 6.568 0.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 17.360 6.685 -0.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 16.095 6.937 -2.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 17.015 8.253 -1.548 1.00 0.00 H new ATOM 64 N LEU A 4 11.899 9.063 2.695 1.00 0.00 N ATOM 65 CA LEU A 4 11.210 7.897 3.306 1.00 0.00 C ATOM 66 C LEU A 4 10.277 7.277 2.279 1.00 0.00 C ATOM 67 O LEU A 4 9.275 7.854 1.938 1.00 0.00 O ATOM 68 CB LEU A 4 10.377 8.343 4.502 1.00 0.00 C ATOM 69 CG LEU A 4 10.223 7.179 5.456 1.00 0.00 C ATOM 70 CD1 LEU A 4 9.721 5.950 4.690 1.00 0.00 C ATOM 71 CD2 LEU A 4 11.577 6.882 6.103 1.00 0.00 C ATOM 0 H LEU A 4 11.433 9.462 1.880 1.00 0.00 H new ATOM 0 HA LEU A 4 11.960 7.176 3.632 1.00 0.00 H new ATOM 0 HB2 LEU A 4 10.859 9.181 5.005 1.00 0.00 H new ATOM 0 HB3 LEU A 4 9.398 8.690 4.171 1.00 0.00 H new ATOM 0 HG LEU A 4 9.499 7.428 6.232 1.00 0.00 H new ATOM 0 HD11 LEU A 4 9.611 5.112 5.379 1.00 0.00 H new ATOM 0 HD12 LEU A 4 8.757 6.174 4.234 1.00 0.00 H new ATOM 0 HD13 LEU A 4 10.438 5.688 3.912 1.00 0.00 H new ATOM 0 HD21 LEU A 4 11.475 6.044 6.792 1.00 0.00 H new ATOM 0 HD22 LEU A 4 12.302 6.629 5.330 1.00 0.00 H new ATOM 0 HD23 LEU A 4 11.920 7.761 6.649 1.00 0.00 H new ATOM 83 N GLN A 5 10.579 6.112 1.788 1.00 0.00 N ATOM 84 CA GLN A 5 9.672 5.487 0.790 1.00 0.00 C ATOM 85 C GLN A 5 8.880 4.371 1.455 1.00 0.00 C ATOM 86 O GLN A 5 9.151 3.980 2.573 1.00 0.00 O ATOM 87 CB GLN A 5 10.493 4.924 -0.368 1.00 0.00 C ATOM 88 CG GLN A 5 11.237 6.079 -1.038 1.00 0.00 C ATOM 89 CD GLN A 5 12.730 5.970 -0.724 1.00 0.00 C ATOM 90 OE1 GLN A 5 13.165 6.348 0.346 1.00 0.00 O ATOM 91 NE2 GLN A 5 13.538 5.468 -1.618 1.00 0.00 N ATOM 0 H GLN A 5 11.407 5.568 2.031 1.00 0.00 H new ATOM 0 HA GLN A 5 8.982 6.237 0.405 1.00 0.00 H new ATOM 0 HB2 GLN A 5 11.200 4.178 -0.004 1.00 0.00 H new ATOM 0 HB3 GLN A 5 9.843 4.424 -1.086 1.00 0.00 H new ATOM 0 HG2 GLN A 5 11.078 6.052 -2.116 1.00 0.00 H new ATOM 0 HG3 GLN A 5 10.848 7.033 -0.682 1.00 0.00 H new ATOM 0 HE21 GLN A 5 13.172 5.151 -2.516 1.00 0.00 H new ATOM 0 HE22 GLN A 5 14.536 5.393 -1.419 1.00 0.00 H new ATOM 100 N ILE A 6 7.895 3.862 0.780 1.00 0.00 N ATOM 101 CA ILE A 6 7.077 2.779 1.374 1.00 0.00 C ATOM 102 C ILE A 6 6.860 1.688 0.326 1.00 0.00 C ATOM 103 O ILE A 6 6.336 1.936 -0.742 1.00 0.00 O ATOM 104 CB ILE A 6 5.732 3.369 1.828 1.00 0.00 C ATOM 105 CG1 ILE A 6 5.888 3.918 3.261 1.00 0.00 C ATOM 106 CG2 ILE A 6 4.638 2.292 1.787 1.00 0.00 C ATOM 107 CD1 ILE A 6 4.728 3.449 4.161 1.00 0.00 C ATOM 0 H ILE A 6 7.621 4.150 -0.159 1.00 0.00 H new ATOM 0 HA ILE A 6 7.583 2.343 2.235 1.00 0.00 H new ATOM 0 HB ILE A 6 5.440 4.176 1.156 1.00 0.00 H new ATOM 0 HG12 ILE A 6 6.837 3.584 3.681 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.916 5.007 3.236 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.691 2.723 2.111 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.536 1.915 0.769 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.910 1.472 2.452 1.00 0.00 H new ATOM 0 HD11 ILE A 6 4.862 3.850 5.166 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.783 3.805 3.751 1.00 0.00 H new ATOM 0 HD13 ILE A 6 4.718 2.360 4.203 1.00 0.00 H new ATOM 119 N ALA A 7 7.248 0.483 0.628 1.00 0.00 N ATOM 120 CA ALA A 7 7.049 -0.619 -0.346 1.00 0.00 C ATOM 121 C ALA A 7 5.646 -1.189 -0.149 1.00 0.00 C ATOM 122 O ALA A 7 5.477 -2.341 0.198 1.00 0.00 O ATOM 123 CB ALA A 7 8.088 -1.715 -0.103 1.00 0.00 C ATOM 0 H ALA A 7 7.693 0.215 1.506 1.00 0.00 H new ATOM 0 HA ALA A 7 7.163 -0.245 -1.363 1.00 0.00 H new ATOM 0 HB1 ALA A 7 7.939 -2.523 -0.820 1.00 0.00 H new ATOM 0 HB2 ALA A 7 9.089 -1.301 -0.225 1.00 0.00 H new ATOM 0 HB3 ALA A 7 7.977 -2.103 0.909 1.00 0.00 H new ATOM 129 N VAL A 8 4.634 -0.389 -0.356 1.00 0.00 N ATOM 130 CA VAL A 8 3.250 -0.900 -0.165 1.00 0.00 C ATOM 131 C VAL A 8 2.830 -1.720 -1.385 1.00 0.00 C ATOM 132 O VAL A 8 2.798 -2.930 -1.343 1.00 0.00 O ATOM 133 CB VAL A 8 2.258 0.264 0.053 1.00 0.00 C ATOM 134 CG1 VAL A 8 2.637 1.467 -0.812 1.00 0.00 C ATOM 135 CG2 VAL A 8 0.834 -0.191 -0.309 1.00 0.00 C ATOM 0 H VAL A 8 4.706 0.586 -0.646 1.00 0.00 H new ATOM 0 HA VAL A 8 3.235 -1.533 0.722 1.00 0.00 H new ATOM 0 HB VAL A 8 2.298 0.557 1.102 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.925 2.275 -0.643 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.639 1.804 -0.547 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.617 1.180 -1.863 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.138 0.633 -0.154 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.805 -0.498 -1.354 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.548 -1.031 0.324 1.00 0.00 H new ATOM 145 N GLY A 9 2.477 -1.086 -2.462 1.00 0.00 N ATOM 146 CA GLY A 9 2.029 -1.870 -3.634 1.00 0.00 C ATOM 147 C GLY A 9 0.772 -2.610 -3.217 1.00 0.00 C ATOM 148 O GLY A 9 0.819 -3.718 -2.721 1.00 0.00 O ATOM 0 H GLY A 9 2.479 -0.073 -2.580 1.00 0.00 H new ATOM 0 HA2 GLY A 9 1.828 -1.215 -4.482 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.803 -2.570 -3.948 1.00 0.00 H new ATOM 152 N ILE A 10 -0.354 -1.990 -3.393 1.00 0.00 N ATOM 153 CA ILE A 10 -1.619 -2.641 -2.981 1.00 0.00 C ATOM 154 C ILE A 10 -1.695 -3.987 -3.664 1.00 0.00 C ATOM 155 O ILE A 10 -0.956 -4.272 -4.587 1.00 0.00 O ATOM 156 CB ILE A 10 -2.861 -1.800 -3.327 1.00 0.00 C ATOM 157 CG1 ILE A 10 -2.478 -0.489 -4.005 1.00 0.00 C ATOM 158 CG2 ILE A 10 -3.608 -1.469 -2.030 1.00 0.00 C ATOM 159 CD1 ILE A 10 -3.721 0.144 -4.632 1.00 0.00 C ATOM 0 H ILE A 10 -0.453 -1.062 -3.804 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.616 -2.749 -1.896 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.484 -2.378 -4.010 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.037 0.193 -3.278 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.724 -0.670 -4.771 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.491 -0.873 -2.261 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.912 -2.394 -1.539 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.953 -0.905 -1.366 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.447 1.081 -5.117 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.143 -0.537 -5.371 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.461 0.340 -3.856 1.00 0.00 H new ATOM 171 N ILE A 11 -2.547 -4.834 -3.199 1.00 0.00 N ATOM 172 CA ILE A 11 -2.630 -6.179 -3.796 1.00 0.00 C ATOM 173 C ILE A 11 -4.074 -6.496 -4.192 1.00 0.00 C ATOM 174 O ILE A 11 -4.716 -7.332 -3.594 1.00 0.00 O ATOM 175 CB ILE A 11 -2.118 -7.184 -2.760 1.00 0.00 C ATOM 176 CG1 ILE A 11 -2.531 -6.729 -1.359 1.00 0.00 C ATOM 177 CG2 ILE A 11 -0.589 -7.242 -2.822 1.00 0.00 C ATOM 178 CD1 ILE A 11 -2.048 -7.752 -0.331 1.00 0.00 C ATOM 0 H ILE A 11 -3.192 -4.655 -2.429 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.023 -6.233 -4.700 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.541 -8.166 -2.973 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.105 -5.750 -1.142 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.615 -6.624 -1.303 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.222 -7.957 -2.085 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.277 -7.555 -3.818 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.178 -6.256 -2.606 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.341 -7.430 0.668 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.496 -8.722 -0.545 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.962 -7.834 -0.382 1.00 0.00 H new ATOM 190 N ARG A 12 -4.581 -5.862 -5.222 1.00 0.00 N ATOM 191 CA ARG A 12 -5.978 -6.179 -5.658 1.00 0.00 C ATOM 192 C ARG A 12 -5.901 -7.487 -6.430 1.00 0.00 C ATOM 193 O ARG A 12 -4.830 -7.879 -6.849 1.00 0.00 O ATOM 194 CB ARG A 12 -6.572 -5.086 -6.560 1.00 0.00 C ATOM 195 CG ARG A 12 -5.513 -4.046 -6.925 1.00 0.00 C ATOM 196 CD ARG A 12 -6.144 -2.913 -7.762 1.00 0.00 C ATOM 197 NE ARG A 12 -6.799 -3.516 -8.963 1.00 0.00 N ATOM 198 CZ ARG A 12 -7.603 -2.810 -9.713 1.00 0.00 C ATOM 199 NH1 ARG A 12 -8.192 -1.748 -9.238 1.00 0.00 N ATOM 200 NH2 ARG A 12 -7.820 -3.173 -10.948 1.00 0.00 N ATOM 0 H ARG A 12 -4.098 -5.151 -5.771 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.627 -6.247 -4.785 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.973 -5.536 -7.468 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.404 -4.600 -6.050 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.070 -3.634 -6.018 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.708 -4.518 -7.488 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.875 -2.365 -7.167 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.380 -2.197 -8.067 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.616 -4.491 -9.200 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.027 -1.462 -8.273 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.818 -1.203 -9.831 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.363 -4.004 -11.323 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.447 -2.626 -11.538 1.00 0.00 H new ATOM 214 N ASN A 13 -6.972 -8.218 -6.597 1.00 0.00 N ATOM 215 CA ASN A 13 -6.772 -9.503 -7.310 1.00 0.00 C ATOM 216 C ASN A 13 -8.048 -10.149 -7.882 1.00 0.00 C ATOM 217 O ASN A 13 -7.947 -10.975 -8.729 1.00 0.00 O ATOM 218 CB ASN A 13 -6.094 -10.453 -6.328 1.00 0.00 C ATOM 219 CG ASN A 13 -7.145 -11.134 -5.446 1.00 0.00 C ATOM 220 OD1 ASN A 13 -8.100 -10.419 -4.916 1.00 0.00 O flip ATOM 221 ND2 ASN A 13 -7.099 -12.331 -5.238 1.00 0.00 N flip ATOM 0 H ASN A 13 -7.920 -7.997 -6.291 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.165 -9.297 -8.192 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -5.522 -11.205 -6.872 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -5.387 -9.903 -5.707 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -6.354 -12.892 -5.651 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -7.805 -12.774 -4.651 1.00 0.00 H new ATOM 228 N GLU A 14 -9.236 -9.831 -7.477 1.00 0.00 N ATOM 229 CA GLU A 14 -10.392 -10.565 -8.107 1.00 0.00 C ATOM 230 C GLU A 14 -10.901 -9.750 -9.286 1.00 0.00 C ATOM 231 O GLU A 14 -11.348 -10.262 -10.294 1.00 0.00 O ATOM 232 CB GLU A 14 -11.509 -10.737 -7.079 1.00 0.00 C ATOM 233 CG GLU A 14 -12.716 -11.408 -7.740 1.00 0.00 C ATOM 234 CD GLU A 14 -13.864 -10.403 -7.844 1.00 0.00 C ATOM 235 OE1 GLU A 14 -13.596 -9.216 -7.757 1.00 0.00 O ATOM 236 OE2 GLU A 14 -14.993 -10.836 -8.011 1.00 0.00 O ATOM 0 H GLU A 14 -9.468 -9.131 -6.772 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.069 -11.549 -8.448 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.157 -11.341 -6.242 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.796 -9.767 -6.673 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.446 -11.772 -8.731 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -13.029 -12.274 -7.157 1.00 0.00 H new ATOM 243 N ASN A 15 -10.777 -8.487 -9.150 1.00 0.00 N ATOM 244 CA ASN A 15 -11.164 -7.517 -10.203 1.00 0.00 C ATOM 245 C ASN A 15 -10.459 -6.252 -9.782 1.00 0.00 C ATOM 246 O ASN A 15 -9.770 -5.585 -10.529 1.00 0.00 O ATOM 247 CB ASN A 15 -12.681 -7.308 -10.204 1.00 0.00 C ATOM 248 CG ASN A 15 -13.090 -6.550 -11.468 1.00 0.00 C ATOM 249 OD1 ASN A 15 -13.087 -5.335 -11.492 1.00 0.00 O ATOM 250 ND2 ASN A 15 -13.447 -7.222 -12.528 1.00 0.00 N ATOM 0 H ASN A 15 -10.403 -8.050 -8.308 1.00 0.00 H new ATOM 0 HA ASN A 15 -10.897 -7.844 -11.208 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -13.191 -8.270 -10.163 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -12.983 -6.749 -9.318 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -13.723 -6.727 -13.376 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -13.450 -8.242 -12.508 1.00 0.00 H new ATOM 257 N ASN A 16 -10.606 -5.991 -8.524 1.00 0.00 N ATOM 258 CA ASN A 16 -9.963 -4.858 -7.859 1.00 0.00 C ATOM 259 C ASN A 16 -10.029 -5.194 -6.374 1.00 0.00 C ATOM 260 O ASN A 16 -10.282 -4.341 -5.547 1.00 0.00 O ATOM 261 CB ASN A 16 -10.736 -3.566 -8.153 1.00 0.00 C ATOM 262 CG ASN A 16 -10.218 -2.434 -7.261 1.00 0.00 C ATOM 263 OD1 ASN A 16 -10.886 -1.435 -7.080 1.00 0.00 O ATOM 264 ND2 ASN A 16 -9.050 -2.548 -6.691 1.00 0.00 N ATOM 0 H ASN A 16 -11.182 -6.557 -7.901 1.00 0.00 H new ATOM 0 HA ASN A 16 -8.940 -4.699 -8.199 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -10.622 -3.295 -9.203 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -11.801 -3.721 -7.977 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -8.698 -1.799 -6.094 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -8.488 -3.386 -6.842 1.00 0.00 H new ATOM 271 N GLU A 17 -9.851 -6.458 -6.014 1.00 0.00 N ATOM 272 CA GLU A 17 -9.973 -6.798 -4.566 1.00 0.00 C ATOM 273 C GLU A 17 -8.623 -6.714 -3.876 1.00 0.00 C ATOM 274 O GLU A 17 -7.861 -7.659 -3.871 1.00 0.00 O ATOM 275 CB GLU A 17 -10.548 -8.203 -4.390 1.00 0.00 C ATOM 276 CG GLU A 17 -11.982 -8.234 -4.917 1.00 0.00 C ATOM 277 CD GLU A 17 -12.632 -9.571 -4.552 1.00 0.00 C ATOM 278 OE1 GLU A 17 -11.910 -10.466 -4.146 1.00 0.00 O ATOM 279 OE2 GLU A 17 -13.841 -9.676 -4.687 1.00 0.00 O ATOM 0 H GLU A 17 -9.635 -7.233 -6.641 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.649 -6.075 -4.110 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.936 -8.928 -4.926 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -10.529 -8.486 -3.338 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.555 -7.411 -4.491 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.986 -8.099 -5.999 1.00 0.00 H new ATOM 286 N ILE A 18 -8.315 -5.592 -3.281 1.00 0.00 N ATOM 287 CA ILE A 18 -7.007 -5.479 -2.592 1.00 0.00 C ATOM 288 C ILE A 18 -7.190 -5.753 -1.099 1.00 0.00 C ATOM 289 O ILE A 18 -8.239 -5.531 -0.529 1.00 0.00 O ATOM 290 CB ILE A 18 -6.340 -4.087 -2.839 1.00 0.00 C ATOM 291 CG1 ILE A 18 -6.357 -3.220 -1.574 1.00 0.00 C ATOM 292 CG2 ILE A 18 -7.031 -3.309 -3.964 1.00 0.00 C ATOM 293 CD1 ILE A 18 -5.073 -3.474 -0.783 1.00 0.00 C ATOM 0 H ILE A 18 -8.907 -4.762 -3.245 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.331 -6.226 -3.008 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.310 -4.298 -3.127 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.433 -2.166 -1.840 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.229 -3.459 -0.965 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.534 -2.348 -4.100 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.975 -3.881 -4.890 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.076 -3.143 -3.703 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.074 -2.862 0.119 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.018 -4.527 -0.507 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.210 -3.214 -1.396 1.00 0.00 H new ATOM 305 N PHE A 19 -6.155 -6.232 -0.481 1.00 0.00 N ATOM 306 CA PHE A 19 -6.184 -6.530 0.988 1.00 0.00 C ATOM 307 C PHE A 19 -5.973 -5.213 1.767 1.00 0.00 C ATOM 308 O PHE A 19 -5.178 -5.141 2.681 1.00 0.00 O ATOM 309 CB PHE A 19 -5.032 -7.500 1.287 1.00 0.00 C ATOM 310 CG PHE A 19 -5.170 -8.101 2.665 1.00 0.00 C ATOM 311 CD1 PHE A 19 -6.375 -8.692 3.063 1.00 0.00 C ATOM 312 CD2 PHE A 19 -4.078 -8.082 3.541 1.00 0.00 C ATOM 313 CE1 PHE A 19 -6.485 -9.263 4.338 1.00 0.00 C ATOM 314 CE2 PHE A 19 -4.191 -8.652 4.815 1.00 0.00 C ATOM 315 CZ PHE A 19 -5.393 -9.242 5.212 1.00 0.00 C ATOM 0 H PHE A 19 -5.265 -6.437 -0.935 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.136 -6.971 1.283 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.018 -8.294 0.540 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.080 -6.974 1.210 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.218 -8.708 2.389 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.148 -7.627 3.234 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.414 -9.720 4.646 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.349 -8.635 5.491 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.479 -9.682 6.194 1.00 0.00 H new ATOM 325 N ILE A 20 -6.656 -4.162 1.374 1.00 0.00 N ATOM 326 CA ILE A 20 -6.485 -2.832 2.038 1.00 0.00 C ATOM 327 C ILE A 20 -7.287 -2.748 3.322 1.00 0.00 C ATOM 328 O ILE A 20 -8.302 -3.388 3.488 1.00 0.00 O ATOM 329 CB ILE A 20 -6.973 -1.713 1.110 1.00 0.00 C ATOM 330 CG1 ILE A 20 -6.881 -0.364 1.835 1.00 0.00 C ATOM 331 CG2 ILE A 20 -8.431 -1.968 0.727 1.00 0.00 C ATOM 332 CD1 ILE A 20 -5.425 -0.056 2.187 1.00 0.00 C ATOM 0 H ILE A 20 -7.333 -4.172 0.611 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.424 -2.718 2.261 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.351 -1.694 0.215 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.286 0.426 1.202 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -7.486 -0.387 2.742 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -8.778 -1.173 0.067 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -8.510 -2.926 0.213 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -9.046 -1.987 1.627 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.370 0.903 2.701 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.034 -0.839 2.837 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.831 -0.013 1.274 1.00 0.00 H new ATOM 344 N THR A 21 -6.851 -1.910 4.209 1.00 0.00 N ATOM 345 CA THR A 21 -7.588 -1.719 5.488 1.00 0.00 C ATOM 346 C THR A 21 -8.928 -1.052 5.172 1.00 0.00 C ATOM 347 O THR A 21 -9.022 0.149 5.075 1.00 0.00 O ATOM 348 CB THR A 21 -6.763 -0.826 6.415 1.00 0.00 C ATOM 349 OG1 THR A 21 -7.567 -0.396 7.507 1.00 0.00 O ATOM 350 CG2 THR A 21 -6.251 0.392 5.644 1.00 0.00 C ATOM 0 H THR A 21 -6.010 -1.343 4.106 1.00 0.00 H new ATOM 0 HA THR A 21 -7.758 -2.676 5.981 1.00 0.00 H new ATOM 0 HB THR A 21 -5.913 -1.394 6.793 1.00 0.00 H new ATOM 0 HG1 THR A 21 -7.035 0.175 8.100 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.664 1.024 6.310 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.627 0.061 4.814 1.00 0.00 H new ATOM 0 HG23 THR A 21 -7.097 0.960 5.257 1.00 0.00 H new ATOM 358 N ARG A 22 -9.954 -1.832 4.981 1.00 0.00 N ATOM 359 CA ARG A 22 -11.287 -1.263 4.633 1.00 0.00 C ATOM 360 C ARG A 22 -12.192 -1.219 5.869 1.00 0.00 C ATOM 361 O ARG A 22 -12.994 -2.105 6.085 1.00 0.00 O ATOM 362 CB ARG A 22 -11.926 -2.153 3.565 1.00 0.00 C ATOM 363 CG ARG A 22 -13.347 -1.673 3.289 1.00 0.00 C ATOM 364 CD ARG A 22 -13.293 -0.249 2.745 1.00 0.00 C ATOM 365 NE ARG A 22 -14.647 0.137 2.252 1.00 0.00 N ATOM 366 CZ ARG A 22 -14.913 1.382 1.976 1.00 0.00 C ATOM 367 NH1 ARG A 22 -14.430 2.332 2.723 1.00 0.00 N ATOM 368 NH2 ARG A 22 -15.664 1.677 0.949 1.00 0.00 N ATOM 0 H ARG A 22 -9.927 -2.849 5.052 1.00 0.00 H new ATOM 0 HA ARG A 22 -11.163 -0.246 4.261 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -11.336 -2.122 2.649 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -11.939 -3.190 3.901 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.834 -2.332 2.571 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.939 -1.705 4.203 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -12.966 0.439 3.525 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -12.565 -0.183 1.936 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.366 -0.576 2.131 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -13.843 2.102 3.525 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -14.638 3.307 2.507 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -16.042 0.933 0.363 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -15.872 2.652 0.733 1.00 0.00 H new ATOM 382 N ARG A 23 -12.068 -0.188 6.670 1.00 0.00 N ATOM 383 CA ARG A 23 -12.911 -0.056 7.903 1.00 0.00 C ATOM 384 C ARG A 23 -13.236 -1.441 8.470 1.00 0.00 C ATOM 385 O ARG A 23 -14.263 -2.017 8.171 1.00 0.00 O ATOM 386 CB ARG A 23 -14.225 0.681 7.593 1.00 0.00 C ATOM 387 CG ARG A 23 -14.235 1.212 6.154 1.00 0.00 C ATOM 388 CD ARG A 23 -15.628 1.760 5.825 1.00 0.00 C ATOM 389 NE ARG A 23 -16.402 0.725 5.080 1.00 0.00 N ATOM 390 CZ ARG A 23 -17.697 0.836 4.957 1.00 0.00 C ATOM 391 NH1 ARG A 23 -18.202 1.739 4.162 1.00 0.00 N ATOM 392 NH2 ARG A 23 -18.487 0.038 5.620 1.00 0.00 N ATOM 0 H ARG A 23 -11.411 0.578 6.521 1.00 0.00 H new ATOM 0 HA ARG A 23 -12.346 0.520 8.636 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -15.068 0.006 7.740 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -14.354 1.509 8.290 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -13.487 1.996 6.039 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -13.972 0.415 5.458 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -16.151 2.031 6.742 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.542 2.667 5.227 1.00 0.00 H new ATOM 0 HE ARG A 23 -15.918 -0.072 4.666 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -17.585 2.358 3.636 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -19.214 1.826 4.066 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.093 -0.674 6.235 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -19.499 0.126 5.523 1.00 0.00 H new ATOM 406 N ALA A 24 -12.372 -1.983 9.283 1.00 0.00 N ATOM 407 CA ALA A 24 -12.640 -3.332 9.858 1.00 0.00 C ATOM 408 C ALA A 24 -14.093 -3.406 10.334 1.00 0.00 C ATOM 409 O ALA A 24 -14.828 -4.304 9.974 1.00 0.00 O ATOM 410 CB ALA A 24 -11.700 -3.579 11.040 1.00 0.00 C ATOM 0 H ALA A 24 -11.494 -1.552 9.574 1.00 0.00 H new ATOM 0 HA ALA A 24 -12.470 -4.092 9.095 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -11.896 -4.565 11.461 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -10.666 -3.529 10.699 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.868 -2.819 11.803 1.00 0.00 H new ATOM 416 N ALA A 25 -14.514 -2.466 11.137 1.00 0.00 N ATOM 417 CA ALA A 25 -15.919 -2.483 11.630 1.00 0.00 C ATOM 418 C ALA A 25 -16.844 -1.977 10.523 1.00 0.00 C ATOM 419 O ALA A 25 -16.485 -1.959 9.362 1.00 0.00 O ATOM 420 CB ALA A 25 -16.043 -1.574 12.857 1.00 0.00 C ATOM 0 H ALA A 25 -13.945 -1.688 11.472 1.00 0.00 H new ATOM 0 HA ALA A 25 -16.199 -3.500 11.906 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -17.072 -1.587 13.217 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -15.379 -1.932 13.644 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -15.767 -0.555 12.585 1.00 0.00 H new ATOM 426 N ASP A 26 -18.030 -1.565 10.869 1.00 0.00 N ATOM 427 CA ASP A 26 -18.968 -1.063 9.828 1.00 0.00 C ATOM 428 C ASP A 26 -18.600 0.379 9.471 1.00 0.00 C ATOM 429 O ASP A 26 -18.844 0.839 8.374 1.00 0.00 O ATOM 430 CB ASP A 26 -20.405 -1.113 10.355 1.00 0.00 C ATOM 431 CG ASP A 26 -20.547 -2.259 11.359 1.00 0.00 C ATOM 432 OD1 ASP A 26 -20.130 -3.358 11.037 1.00 0.00 O ATOM 433 OD2 ASP A 26 -21.068 -2.016 12.435 1.00 0.00 O ATOM 0 H ASP A 26 -18.390 -1.554 11.823 1.00 0.00 H new ATOM 0 HA ASP A 26 -18.894 -1.690 8.940 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -20.661 -0.166 10.831 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -21.101 -1.253 9.528 1.00 0.00 H new ATOM 438 N ALA A 27 -18.013 1.096 10.391 1.00 0.00 N ATOM 439 CA ALA A 27 -17.628 2.507 10.104 1.00 0.00 C ATOM 440 C ALA A 27 -18.825 3.263 9.528 1.00 0.00 C ATOM 441 O ALA A 27 -19.920 2.745 9.436 1.00 0.00 O ATOM 442 CB ALA A 27 -16.484 2.531 9.088 1.00 0.00 C ATOM 0 H ALA A 27 -17.784 0.766 11.328 1.00 0.00 H new ATOM 0 HA ALA A 27 -17.307 2.984 11.030 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -16.204 3.564 8.880 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -15.625 1.997 9.495 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -16.807 2.049 8.165 1.00 0.00 H new ATOM 448 N HIS A 28 -18.615 4.488 9.135 1.00 0.00 N ATOM 449 CA HIS A 28 -19.723 5.293 8.556 1.00 0.00 C ATOM 450 C HIS A 28 -19.123 6.422 7.718 1.00 0.00 C ATOM 451 O HIS A 28 -19.727 7.460 7.531 1.00 0.00 O ATOM 452 CB HIS A 28 -20.574 5.886 9.684 1.00 0.00 C ATOM 453 CG HIS A 28 -21.906 5.187 9.730 1.00 0.00 C ATOM 454 ND1 HIS A 28 -22.652 5.092 10.895 1.00 0.00 N ATOM 455 CD2 HIS A 28 -22.639 4.543 8.763 1.00 0.00 C ATOM 456 CE1 HIS A 28 -23.777 4.414 10.603 1.00 0.00 C ATOM 457 NE2 HIS A 28 -23.819 4.056 9.317 1.00 0.00 N ATOM 0 H HIS A 28 -17.717 4.968 9.191 1.00 0.00 H new ATOM 0 HA HIS A 28 -20.353 4.661 7.931 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -20.060 5.774 10.639 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -20.718 6.954 9.522 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -22.344 4.432 7.730 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -24.551 4.187 11.321 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -24.558 3.537 8.843 1.00 0.00 H new ATOM 465 N MET A 29 -17.930 6.229 7.218 1.00 0.00 N ATOM 466 CA MET A 29 -17.287 7.295 6.402 1.00 0.00 C ATOM 467 C MET A 29 -16.845 6.735 5.051 1.00 0.00 C ATOM 468 O MET A 29 -17.005 7.370 4.028 1.00 0.00 O ATOM 469 CB MET A 29 -16.073 7.846 7.150 1.00 0.00 C ATOM 470 CG MET A 29 -16.432 9.196 7.770 1.00 0.00 C ATOM 471 SD MET A 29 -15.625 9.355 9.382 1.00 0.00 S ATOM 472 CE MET A 29 -13.943 8.998 8.825 1.00 0.00 C ATOM 0 H MET A 29 -17.377 5.381 7.340 1.00 0.00 H new ATOM 0 HA MET A 29 -18.008 8.095 6.232 1.00 0.00 H new ATOM 0 HB2 MET A 29 -15.762 7.147 7.927 1.00 0.00 H new ATOM 0 HB3 MET A 29 -15.231 7.959 6.467 1.00 0.00 H new ATOM 0 HG2 MET A 29 -16.116 10.006 7.112 1.00 0.00 H new ATOM 0 HG3 MET A 29 -17.513 9.280 7.883 1.00 0.00 H new ATOM 0 HE1 MET A 29 -13.231 9.330 9.581 1.00 0.00 H new ATOM 0 HE2 MET A 29 -13.832 7.925 8.668 1.00 0.00 H new ATOM 0 HE3 MET A 29 -13.750 9.524 7.890 1.00 0.00 H new ATOM 482 N ALA A 30 -16.292 5.556 5.036 1.00 0.00 N ATOM 483 CA ALA A 30 -15.842 4.959 3.748 1.00 0.00 C ATOM 484 C ALA A 30 -14.500 5.566 3.326 1.00 0.00 C ATOM 485 O ALA A 30 -13.947 5.220 2.300 1.00 0.00 O ATOM 486 CB ALA A 30 -16.892 5.220 2.667 1.00 0.00 C ATOM 0 H ALA A 30 -16.132 4.978 5.861 1.00 0.00 H new ATOM 0 HA ALA A 30 -15.717 3.884 3.878 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -16.561 4.782 1.725 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -17.839 4.769 2.963 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -17.025 6.294 2.541 1.00 0.00 H new ATOM 492 N ASN A 31 -13.957 6.455 4.111 1.00 0.00 N ATOM 493 CA ASN A 31 -12.639 7.051 3.748 1.00 0.00 C ATOM 494 C ASN A 31 -11.532 6.232 4.419 1.00 0.00 C ATOM 495 O ASN A 31 -10.379 6.616 4.437 1.00 0.00 O ATOM 496 CB ASN A 31 -12.578 8.506 4.231 1.00 0.00 C ATOM 497 CG ASN A 31 -12.332 8.545 5.742 1.00 0.00 C ATOM 498 OD1 ASN A 31 -12.615 7.591 6.441 1.00 0.00 O ATOM 499 ND2 ASN A 31 -11.807 9.614 6.280 1.00 0.00 N ATOM 0 H ASN A 31 -14.365 6.793 4.983 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.507 7.036 2.666 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -11.782 9.038 3.710 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -13.511 9.017 3.993 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -11.635 9.647 7.285 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -11.569 10.415 5.695 1.00 0.00 H new ATOM 506 N LYS A 32 -11.887 5.108 4.981 1.00 0.00 N ATOM 507 CA LYS A 32 -10.886 4.249 5.670 1.00 0.00 C ATOM 508 C LYS A 32 -10.118 3.396 4.657 1.00 0.00 C ATOM 509 O LYS A 32 -9.793 2.265 4.934 1.00 0.00 O ATOM 510 CB LYS A 32 -11.624 3.320 6.636 1.00 0.00 C ATOM 511 CG LYS A 32 -10.885 3.260 7.971 1.00 0.00 C ATOM 512 CD LYS A 32 -9.440 2.815 7.743 1.00 0.00 C ATOM 513 CE LYS A 32 -8.735 2.665 9.092 1.00 0.00 C ATOM 514 NZ LYS A 32 -7.911 3.877 9.358 1.00 0.00 N ATOM 0 H LYS A 32 -12.840 4.746 4.991 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.179 4.884 6.204 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -12.642 3.677 6.790 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.698 2.321 6.207 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.902 4.238 8.451 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.387 2.565 8.644 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.420 1.868 7.203 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.916 3.545 7.126 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.470 2.530 9.886 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.104 1.776 9.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.431 3.776 10.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.201 3.986 8.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.525 4.716 9.379 1.00 0.00 H new ATOM 528 N LEU A 33 -9.822 3.905 3.492 1.00 0.00 N ATOM 529 CA LEU A 33 -9.077 3.068 2.505 1.00 0.00 C ATOM 530 C LEU A 33 -7.666 3.622 2.327 1.00 0.00 C ATOM 531 O LEU A 33 -7.410 4.433 1.464 1.00 0.00 O ATOM 532 CB LEU A 33 -9.833 3.076 1.177 1.00 0.00 C ATOM 533 CG LEU A 33 -10.960 2.048 1.267 1.00 0.00 C ATOM 534 CD1 LEU A 33 -11.801 2.085 -0.006 1.00 0.00 C ATOM 535 CD2 LEU A 33 -10.359 0.654 1.434 1.00 0.00 C ATOM 0 H LEU A 33 -10.058 4.848 3.183 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.001 2.042 2.864 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.238 4.068 0.975 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.160 2.833 0.354 1.00 0.00 H new ATOM 0 HG LEU A 33 -11.593 2.284 2.122 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -12.602 1.349 0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -12.231 3.079 -0.129 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.171 1.853 -0.865 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.160 -0.082 1.499 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.725 0.426 0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.762 0.622 2.346 1.00 0.00 H new ATOM 547 N GLU A 34 -6.747 3.185 3.146 1.00 0.00 N ATOM 548 CA GLU A 34 -5.350 3.685 3.042 1.00 0.00 C ATOM 549 C GLU A 34 -4.546 2.767 2.123 1.00 0.00 C ATOM 550 O GLU A 34 -5.018 2.351 1.084 1.00 0.00 O ATOM 551 CB GLU A 34 -4.726 3.720 4.439 1.00 0.00 C ATOM 552 CG GLU A 34 -3.670 4.827 4.500 1.00 0.00 C ATOM 553 CD GLU A 34 -2.500 4.371 5.375 1.00 0.00 C ATOM 554 OE1 GLU A 34 -2.553 4.608 6.570 1.00 0.00 O ATOM 555 OE2 GLU A 34 -1.573 3.790 4.834 1.00 0.00 O ATOM 0 H GLU A 34 -6.907 2.500 3.885 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.344 4.691 2.623 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.497 3.897 5.189 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.272 2.756 4.670 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.317 5.062 3.496 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.107 5.739 4.906 1.00 0.00 H new ATOM 562 N PHE A 35 -3.334 2.446 2.489 1.00 0.00 N ATOM 563 CA PHE A 35 -2.519 1.555 1.625 1.00 0.00 C ATOM 564 C PHE A 35 -1.556 0.736 2.489 1.00 0.00 C ATOM 565 O PHE A 35 -0.857 1.280 3.321 1.00 0.00 O ATOM 566 CB PHE A 35 -1.722 2.403 0.631 1.00 0.00 C ATOM 567 CG PHE A 35 -2.671 3.039 -0.353 1.00 0.00 C ATOM 568 CD1 PHE A 35 -3.141 2.300 -1.444 1.00 0.00 C ATOM 569 CD2 PHE A 35 -3.084 4.366 -0.178 1.00 0.00 C ATOM 570 CE1 PHE A 35 -4.023 2.884 -2.360 1.00 0.00 C ATOM 571 CE2 PHE A 35 -3.966 4.951 -1.094 1.00 0.00 C ATOM 572 CZ PHE A 35 -4.436 4.209 -2.185 1.00 0.00 C ATOM 0 H PHE A 35 -2.878 2.762 3.345 1.00 0.00 H new ATOM 0 HA PHE A 35 -3.177 0.877 1.081 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -1.159 3.172 1.160 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -0.997 1.782 0.105 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.823 1.277 -1.579 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -2.722 4.938 0.664 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -4.385 2.312 -3.202 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -4.284 5.974 -0.960 1.00 0.00 H new ATOM 0 HZ PHE A 35 -5.117 4.660 -2.891 1.00 0.00 H new ATOM 582 N PRO A 36 -1.542 -0.553 2.254 1.00 0.00 N ATOM 583 CA PRO A 36 -0.664 -1.478 2.991 1.00 0.00 C ATOM 584 C PRO A 36 0.798 -1.037 2.846 1.00 0.00 C ATOM 585 O PRO A 36 1.453 -1.344 1.873 1.00 0.00 O ATOM 586 CB PRO A 36 -0.899 -2.840 2.321 1.00 0.00 C ATOM 587 CG PRO A 36 -1.831 -2.608 1.104 1.00 0.00 C ATOM 588 CD PRO A 36 -2.395 -1.191 1.234 1.00 0.00 C ATOM 0 HA PRO A 36 -0.876 -1.508 4.060 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.047 -3.278 2.001 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -1.353 -3.539 3.023 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.280 -2.719 0.170 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -2.636 -3.343 1.089 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.349 -0.656 0.286 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.441 -1.205 1.542 1.00 0.00 H new ATOM 596 N GLY A 37 1.303 -0.300 3.800 1.00 0.00 N ATOM 597 CA GLY A 37 2.712 0.190 3.720 1.00 0.00 C ATOM 598 C GLY A 37 3.694 -0.973 3.537 1.00 0.00 C ATOM 599 O GLY A 37 3.398 -1.969 2.907 1.00 0.00 O ATOM 0 H GLY A 37 0.796 -0.014 4.638 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.811 0.887 2.888 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.961 0.740 4.628 1.00 0.00 H new ATOM 603 N GLY A 38 4.872 -0.844 4.084 1.00 0.00 N ATOM 604 CA GLY A 38 5.889 -1.924 3.943 1.00 0.00 C ATOM 605 C GLY A 38 7.279 -1.340 4.191 1.00 0.00 C ATOM 606 O GLY A 38 8.107 -1.955 4.828 1.00 0.00 O ATOM 0 H GLY A 38 5.175 -0.034 4.625 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.686 -2.726 4.653 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.837 -2.361 2.946 1.00 0.00 H new ATOM 610 N LYS A 39 7.524 -0.152 3.691 1.00 0.00 N ATOM 611 CA LYS A 39 8.850 0.515 3.881 1.00 0.00 C ATOM 612 C LYS A 39 9.911 -0.141 3.004 1.00 0.00 C ATOM 613 O LYS A 39 10.532 -1.109 3.386 1.00 0.00 O ATOM 614 CB LYS A 39 9.286 0.425 5.344 1.00 0.00 C ATOM 615 CG LYS A 39 10.668 1.069 5.504 1.00 0.00 C ATOM 616 CD LYS A 39 10.530 2.591 5.504 1.00 0.00 C ATOM 617 CE LYS A 39 11.839 3.218 5.019 1.00 0.00 C ATOM 618 NZ LYS A 39 11.844 3.262 3.530 1.00 0.00 N ATOM 0 H LYS A 39 6.850 0.391 3.151 1.00 0.00 H new ATOM 0 HA LYS A 39 8.744 1.562 3.596 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.561 0.930 5.983 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.319 -0.617 5.662 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.130 0.736 6.434 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.323 0.754 4.692 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.707 2.893 4.856 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.293 2.946 6.507 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.945 4.224 5.424 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.689 2.638 5.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.434 4.056 3.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.230 2.371 3.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.872 3.390 3.183 1.00 0.00 H new ATOM 632 N ILE A 40 10.144 0.393 1.839 1.00 0.00 N ATOM 633 CA ILE A 40 11.192 -0.196 0.960 1.00 0.00 C ATOM 634 C ILE A 40 12.554 0.308 1.415 1.00 0.00 C ATOM 635 O ILE A 40 12.758 1.486 1.632 1.00 0.00 O ATOM 636 CB ILE A 40 10.940 0.169 -0.510 1.00 0.00 C ATOM 637 CG1 ILE A 40 12.270 0.250 -1.289 1.00 0.00 C ATOM 638 CG2 ILE A 40 10.195 1.503 -0.612 1.00 0.00 C ATOM 639 CD1 ILE A 40 12.902 1.638 -1.129 1.00 0.00 C ATOM 0 H ILE A 40 9.659 1.206 1.459 1.00 0.00 H new ATOM 0 HA ILE A 40 11.161 -1.283 1.037 1.00 0.00 H new ATOM 0 HB ILE A 40 10.324 -0.615 -0.951 1.00 0.00 H new ATOM 0 HG12 ILE A 40 12.958 -0.513 -0.926 1.00 0.00 H new ATOM 0 HG13 ILE A 40 12.093 0.044 -2.345 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.025 1.746 -1.661 1.00 0.00 H new ATOM 0 HG22 ILE A 40 9.237 1.425 -0.098 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.792 2.289 -0.150 1.00 0.00 H new ATOM 0 HD11 ILE A 40 13.839 1.677 -1.685 1.00 0.00 H new ATOM 0 HD12 ILE A 40 12.219 2.395 -1.515 1.00 0.00 H new ATOM 0 HD13 ILE A 40 13.098 1.829 -0.074 1.00 0.00 H new ATOM 651 N GLU A 41 13.487 -0.578 1.566 1.00 0.00 N ATOM 652 CA GLU A 41 14.836 -0.153 2.012 1.00 0.00 C ATOM 653 C GLU A 41 15.813 -1.331 1.920 1.00 0.00 C ATOM 654 O GLU A 41 16.994 -1.154 1.697 1.00 0.00 O ATOM 655 CB GLU A 41 14.746 0.340 3.455 1.00 0.00 C ATOM 656 CG GLU A 41 14.573 -0.851 4.398 1.00 0.00 C ATOM 657 CD GLU A 41 13.691 -0.440 5.578 1.00 0.00 C ATOM 658 OE1 GLU A 41 13.660 0.740 5.886 1.00 0.00 O ATOM 659 OE2 GLU A 41 13.058 -1.311 6.151 1.00 0.00 O ATOM 0 H GLU A 41 13.376 -1.578 1.401 1.00 0.00 H new ATOM 0 HA GLU A 41 15.200 0.650 1.371 1.00 0.00 H new ATOM 0 HB2 GLU A 41 15.647 0.895 3.716 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.906 1.026 3.563 1.00 0.00 H new ATOM 0 HG2 GLU A 41 14.121 -1.688 3.866 1.00 0.00 H new ATOM 0 HG3 GLU A 41 15.545 -1.189 4.757 1.00 0.00 H new ATOM 666 N MET A 42 15.330 -2.532 2.102 1.00 0.00 N ATOM 667 CA MET A 42 16.231 -3.718 2.037 1.00 0.00 C ATOM 668 C MET A 42 16.912 -3.779 0.668 1.00 0.00 C ATOM 669 O MET A 42 16.496 -3.134 -0.274 1.00 0.00 O ATOM 670 CB MET A 42 15.410 -4.991 2.255 1.00 0.00 C ATOM 671 CG MET A 42 14.733 -4.936 3.627 1.00 0.00 C ATOM 672 SD MET A 42 15.761 -5.795 4.845 1.00 0.00 S ATOM 673 CE MET A 42 15.595 -4.583 6.178 1.00 0.00 C ATOM 0 H MET A 42 14.350 -2.742 2.293 1.00 0.00 H new ATOM 0 HA MET A 42 16.992 -3.635 2.812 1.00 0.00 H new ATOM 0 HB2 MET A 42 14.659 -5.090 1.471 1.00 0.00 H new ATOM 0 HB3 MET A 42 16.055 -5.867 2.191 1.00 0.00 H new ATOM 0 HG2 MET A 42 14.583 -3.899 3.929 1.00 0.00 H new ATOM 0 HG3 MET A 42 13.747 -5.399 3.576 1.00 0.00 H new ATOM 0 HE1 MET A 42 16.162 -4.918 7.047 1.00 0.00 H new ATOM 0 HE2 MET A 42 15.979 -3.619 5.844 1.00 0.00 H new ATOM 0 HE3 MET A 42 14.544 -4.481 6.448 1.00 0.00 H new ATOM 683 N GLY A 43 17.960 -4.551 0.554 1.00 0.00 N ATOM 684 CA GLY A 43 18.673 -4.657 -0.750 1.00 0.00 C ATOM 685 C GLY A 43 18.914 -3.260 -1.313 1.00 0.00 C ATOM 686 O GLY A 43 19.540 -2.422 -0.693 1.00 0.00 O ATOM 0 H GLY A 43 18.353 -5.113 1.309 1.00 0.00 H new ATOM 0 HA2 GLY A 43 19.622 -5.176 -0.616 1.00 0.00 H new ATOM 0 HA3 GLY A 43 18.084 -5.247 -1.452 1.00 0.00 H new ATOM 690 N GLU A 44 18.416 -3.006 -2.487 1.00 0.00 N ATOM 691 CA GLU A 44 18.601 -1.669 -3.112 1.00 0.00 C ATOM 692 C GLU A 44 17.660 -1.552 -4.306 1.00 0.00 C ATOM 693 O GLU A 44 17.903 -0.808 -5.236 1.00 0.00 O ATOM 694 CB GLU A 44 20.048 -1.524 -3.589 1.00 0.00 C ATOM 695 CG GLU A 44 20.431 -2.743 -4.428 1.00 0.00 C ATOM 696 CD GLU A 44 21.678 -2.426 -5.254 1.00 0.00 C ATOM 697 OE1 GLU A 44 22.242 -1.363 -5.057 1.00 0.00 O ATOM 698 OE2 GLU A 44 22.047 -3.253 -6.071 1.00 0.00 O ATOM 0 H GLU A 44 17.884 -3.673 -3.046 1.00 0.00 H new ATOM 0 HA GLU A 44 18.382 -0.886 -2.386 1.00 0.00 H new ATOM 0 HB2 GLU A 44 20.159 -0.614 -4.178 1.00 0.00 H new ATOM 0 HB3 GLU A 44 20.717 -1.433 -2.733 1.00 0.00 H new ATOM 0 HG2 GLU A 44 20.620 -3.599 -3.780 1.00 0.00 H new ATOM 0 HG3 GLU A 44 19.607 -3.018 -5.086 1.00 0.00 H new ATOM 705 N THR A 45 16.591 -2.297 -4.289 1.00 0.00 N ATOM 706 CA THR A 45 15.631 -2.257 -5.419 1.00 0.00 C ATOM 707 C THR A 45 14.227 -2.482 -4.864 1.00 0.00 C ATOM 708 O THR A 45 14.055 -3.269 -3.963 1.00 0.00 O ATOM 709 CB THR A 45 15.989 -3.383 -6.394 1.00 0.00 C ATOM 710 OG1 THR A 45 17.363 -3.282 -6.740 1.00 0.00 O ATOM 711 CG2 THR A 45 15.139 -3.278 -7.661 1.00 0.00 C ATOM 0 H THR A 45 16.342 -2.936 -3.534 1.00 0.00 H new ATOM 0 HA THR A 45 15.672 -1.298 -5.935 1.00 0.00 H new ATOM 0 HB THR A 45 15.794 -4.343 -5.916 1.00 0.00 H new ATOM 0 HG1 THR A 45 17.597 -4.002 -7.363 1.00 0.00 H new ATOM 0 HG21 THR A 45 15.404 -4.084 -8.345 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.084 -3.357 -7.399 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.322 -2.318 -8.144 1.00 0.00 H new ATOM 719 N PRO A 46 13.260 -1.804 -5.418 1.00 0.00 N ATOM 720 CA PRO A 46 11.865 -1.955 -4.974 1.00 0.00 C ATOM 721 C PRO A 46 11.487 -3.438 -4.934 1.00 0.00 C ATOM 722 O PRO A 46 10.526 -3.819 -4.297 1.00 0.00 O ATOM 723 CB PRO A 46 11.046 -1.181 -6.012 1.00 0.00 C ATOM 724 CG PRO A 46 12.045 -0.378 -6.887 1.00 0.00 C ATOM 725 CD PRO A 46 13.465 -0.844 -6.518 1.00 0.00 C ATOM 0 HA PRO A 46 11.689 -1.574 -3.968 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.461 -1.865 -6.627 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.340 -0.510 -5.522 1.00 0.00 H new ATOM 0 HG2 PRO A 46 11.849 -0.548 -7.946 1.00 0.00 H new ATOM 0 HG3 PRO A 46 11.935 0.692 -6.710 1.00 0.00 H new ATOM 0 HD2 PRO A 46 13.963 -1.312 -7.367 1.00 0.00 H new ATOM 0 HD3 PRO A 46 14.089 -0.007 -6.204 1.00 0.00 H new ATOM 733 N GLU A 47 12.243 -4.283 -5.586 1.00 0.00 N ATOM 734 CA GLU A 47 11.931 -5.736 -5.550 1.00 0.00 C ATOM 735 C GLU A 47 12.350 -6.300 -4.192 1.00 0.00 C ATOM 736 O GLU A 47 11.549 -6.424 -3.306 1.00 0.00 O ATOM 737 CB GLU A 47 12.691 -6.462 -6.665 1.00 0.00 C ATOM 738 CG GLU A 47 11.697 -6.994 -7.700 1.00 0.00 C ATOM 739 CD GLU A 47 12.301 -6.873 -9.100 1.00 0.00 C ATOM 740 OE1 GLU A 47 13.348 -6.258 -9.221 1.00 0.00 O ATOM 741 OE2 GLU A 47 11.709 -7.399 -10.028 1.00 0.00 O ATOM 0 H GLU A 47 13.060 -4.027 -6.140 1.00 0.00 H new ATOM 0 HA GLU A 47 10.861 -5.883 -5.699 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.398 -5.782 -7.140 1.00 0.00 H new ATOM 0 HB3 GLU A 47 13.272 -7.284 -6.247 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.456 -8.035 -7.486 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.764 -6.433 -7.645 1.00 0.00 H new ATOM 748 N GLN A 48 13.593 -6.644 -4.009 1.00 0.00 N ATOM 749 CA GLN A 48 14.009 -7.198 -2.685 1.00 0.00 C ATOM 750 C GLN A 48 13.425 -6.350 -1.566 1.00 0.00 C ATOM 751 O GLN A 48 13.060 -6.840 -0.523 1.00 0.00 O ATOM 752 CB GLN A 48 15.529 -7.182 -2.549 1.00 0.00 C ATOM 753 CG GLN A 48 16.131 -8.300 -3.398 1.00 0.00 C ATOM 754 CD GLN A 48 17.620 -8.027 -3.618 1.00 0.00 C ATOM 755 OE1 GLN A 48 18.041 -7.730 -4.717 1.00 0.00 O ATOM 756 NE2 GLN A 48 18.442 -8.118 -2.608 1.00 0.00 N ATOM 0 H GLN A 48 14.333 -6.568 -4.707 1.00 0.00 H new ATOM 0 HA GLN A 48 13.645 -8.223 -2.618 1.00 0.00 H new ATOM 0 HB2 GLN A 48 15.923 -6.217 -2.868 1.00 0.00 H new ATOM 0 HB3 GLN A 48 15.812 -7.312 -1.504 1.00 0.00 H new ATOM 0 HG2 GLN A 48 15.996 -9.261 -2.902 1.00 0.00 H new ATOM 0 HG3 GLN A 48 15.616 -8.361 -4.357 1.00 0.00 H new ATOM 0 HE21 GLN A 48 18.089 -8.368 -1.684 1.00 0.00 H new ATOM 0 HE22 GLN A 48 19.437 -7.940 -2.743 1.00 0.00 H new ATOM 765 N ALA A 49 13.356 -5.078 -1.761 1.00 0.00 N ATOM 766 CA ALA A 49 12.813 -4.205 -0.698 1.00 0.00 C ATOM 767 C ALA A 49 11.351 -4.554 -0.422 1.00 0.00 C ATOM 768 O ALA A 49 11.009 -4.992 0.645 1.00 0.00 O ATOM 769 CB ALA A 49 12.908 -2.753 -1.147 1.00 0.00 C ATOM 0 H ALA A 49 13.652 -4.599 -2.612 1.00 0.00 H new ATOM 0 HA ALA A 49 13.390 -4.353 0.215 1.00 0.00 H new ATOM 0 HB1 ALA A 49 12.509 -2.104 -0.367 1.00 0.00 H new ATOM 0 HB2 ALA A 49 13.951 -2.497 -1.333 1.00 0.00 H new ATOM 0 HB3 ALA A 49 12.332 -2.617 -2.062 1.00 0.00 H new ATOM 775 N VAL A 50 10.486 -4.350 -1.372 1.00 0.00 N ATOM 776 CA VAL A 50 9.036 -4.644 -1.149 1.00 0.00 C ATOM 777 C VAL A 50 8.807 -6.141 -0.929 1.00 0.00 C ATOM 778 O VAL A 50 8.134 -6.553 -0.008 1.00 0.00 O ATOM 779 CB VAL A 50 8.245 -4.151 -2.367 1.00 0.00 C ATOM 780 CG1 VAL A 50 8.269 -5.196 -3.488 1.00 0.00 C ATOM 781 CG2 VAL A 50 6.802 -3.887 -1.962 1.00 0.00 C ATOM 0 H VAL A 50 10.716 -3.991 -2.299 1.00 0.00 H new ATOM 0 HA VAL A 50 8.695 -4.127 -0.252 1.00 0.00 H new ATOM 0 HB VAL A 50 8.706 -3.233 -2.731 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.702 -4.826 -4.342 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.300 -5.382 -3.790 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.822 -6.124 -3.130 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.240 -3.537 -2.827 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.355 -4.808 -1.587 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.777 -3.127 -1.181 1.00 0.00 H new ATOM 791 N VAL A 51 9.355 -6.940 -1.782 1.00 0.00 N ATOM 792 CA VAL A 51 9.197 -8.417 -1.683 1.00 0.00 C ATOM 793 C VAL A 51 9.657 -8.906 -0.301 1.00 0.00 C ATOM 794 O VAL A 51 8.989 -9.685 0.349 1.00 0.00 O ATOM 795 CB VAL A 51 10.054 -9.056 -2.781 1.00 0.00 C ATOM 796 CG1 VAL A 51 11.509 -9.116 -2.331 1.00 0.00 C ATOM 797 CG2 VAL A 51 9.563 -10.469 -3.074 1.00 0.00 C ATOM 0 H VAL A 51 9.924 -6.629 -2.569 1.00 0.00 H new ATOM 0 HA VAL A 51 8.151 -8.696 -1.809 1.00 0.00 H new ATOM 0 HB VAL A 51 9.973 -8.451 -3.684 1.00 0.00 H new ATOM 0 HG11 VAL A 51 12.114 -9.571 -3.115 1.00 0.00 H new ATOM 0 HG12 VAL A 51 11.871 -8.107 -2.133 1.00 0.00 H new ATOM 0 HG13 VAL A 51 11.584 -9.713 -1.422 1.00 0.00 H new ATOM 0 HG21 VAL A 51 10.179 -10.913 -3.856 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.633 -11.073 -2.169 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.526 -10.432 -3.407 1.00 0.00 H new ATOM 807 N ARG A 52 10.794 -8.449 0.147 1.00 0.00 N ATOM 808 CA ARG A 52 11.306 -8.875 1.478 1.00 0.00 C ATOM 809 C ARG A 52 10.448 -8.195 2.540 1.00 0.00 C ATOM 810 O ARG A 52 10.240 -8.713 3.620 1.00 0.00 O ATOM 811 CB ARG A 52 12.778 -8.465 1.615 1.00 0.00 C ATOM 812 CG ARG A 52 13.611 -9.219 0.574 1.00 0.00 C ATOM 813 CD ARG A 52 14.620 -10.129 1.276 1.00 0.00 C ATOM 814 NE ARG A 52 15.510 -10.756 0.258 1.00 0.00 N ATOM 815 CZ ARG A 52 16.637 -11.308 0.622 1.00 0.00 C ATOM 816 NH1 ARG A 52 16.654 -12.184 1.589 1.00 0.00 N ATOM 817 NH2 ARG A 52 17.747 -10.982 0.016 1.00 0.00 N ATOM 0 H ARG A 52 11.393 -7.795 -0.356 1.00 0.00 H new ATOM 0 HA ARG A 52 11.249 -9.957 1.596 1.00 0.00 H new ATOM 0 HB2 ARG A 52 12.883 -7.389 1.472 1.00 0.00 H new ATOM 0 HB3 ARG A 52 13.138 -8.690 2.619 1.00 0.00 H new ATOM 0 HG2 ARG A 52 12.958 -9.811 -0.067 1.00 0.00 H new ATOM 0 HG3 ARG A 52 14.133 -8.511 -0.070 1.00 0.00 H new ATOM 0 HD2 ARG A 52 15.212 -9.554 1.988 1.00 0.00 H new ATOM 0 HD3 ARG A 52 14.098 -10.900 1.844 1.00 0.00 H new ATOM 0 HE ARG A 52 15.239 -10.754 -0.725 1.00 0.00 H new ATOM 0 HH11 ARG A 52 15.787 -12.439 2.062 1.00 0.00 H new ATOM 0 HH12 ARG A 52 17.534 -12.614 1.872 1.00 0.00 H new ATOM 0 HH21 ARG A 52 17.733 -10.297 -0.740 1.00 0.00 H new ATOM 0 HH22 ARG A 52 18.628 -11.412 0.299 1.00 0.00 H new ATOM 831 N GLU A 53 9.901 -7.057 2.210 1.00 0.00 N ATOM 832 CA GLU A 53 8.999 -6.354 3.160 1.00 0.00 C ATOM 833 C GLU A 53 7.650 -7.058 3.110 1.00 0.00 C ATOM 834 O GLU A 53 6.793 -6.873 3.950 1.00 0.00 O ATOM 835 CB GLU A 53 8.821 -4.904 2.725 1.00 0.00 C ATOM 836 CG GLU A 53 10.154 -4.179 2.851 1.00 0.00 C ATOM 837 CD GLU A 53 10.294 -3.610 4.262 1.00 0.00 C ATOM 838 OE1 GLU A 53 9.409 -3.851 5.063 1.00 0.00 O ATOM 839 OE2 GLU A 53 11.294 -2.961 4.523 1.00 0.00 O ATOM 0 H GLU A 53 10.042 -6.583 1.318 1.00 0.00 H new ATOM 0 HA GLU A 53 9.416 -6.371 4.167 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.465 -4.861 1.695 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.067 -4.416 3.343 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.974 -4.865 2.641 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.214 -3.376 2.116 1.00 0.00 H new ATOM 846 N LEU A 54 7.472 -7.871 2.108 1.00 0.00 N ATOM 847 CA LEU A 54 6.207 -8.618 1.936 1.00 0.00 C ATOM 848 C LEU A 54 6.227 -9.834 2.861 1.00 0.00 C ATOM 849 O LEU A 54 5.380 -9.999 3.716 1.00 0.00 O ATOM 850 CB LEU A 54 6.121 -9.056 0.469 1.00 0.00 C ATOM 851 CG LEU A 54 5.062 -8.225 -0.259 1.00 0.00 C ATOM 852 CD1 LEU A 54 3.735 -8.312 0.495 1.00 0.00 C ATOM 853 CD2 LEU A 54 5.520 -6.766 -0.317 1.00 0.00 C ATOM 0 H LEU A 54 8.170 -8.050 1.386 1.00 0.00 H new ATOM 0 HA LEU A 54 5.342 -8.004 2.186 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.090 -8.931 -0.015 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.869 -10.115 0.410 1.00 0.00 H new ATOM 0 HG LEU A 54 4.928 -8.609 -1.270 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.982 -7.720 -0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.411 -9.352 0.542 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.865 -7.927 1.506 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.769 -6.169 -0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.651 -6.385 0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.467 -6.703 -0.854 1.00 0.00 H new ATOM 865 N GLN A 55 7.201 -10.676 2.693 1.00 0.00 N ATOM 866 CA GLN A 55 7.308 -11.889 3.562 1.00 0.00 C ATOM 867 C GLN A 55 7.524 -11.465 5.016 1.00 0.00 C ATOM 868 O GLN A 55 6.842 -11.926 5.911 1.00 0.00 O ATOM 869 CB GLN A 55 8.486 -12.776 3.117 1.00 0.00 C ATOM 870 CG GLN A 55 9.494 -11.967 2.294 1.00 0.00 C ATOM 871 CD GLN A 55 10.891 -12.569 2.450 1.00 0.00 C ATOM 872 OE1 GLN A 55 11.823 -11.883 2.820 1.00 0.00 O ATOM 873 NE2 GLN A 55 11.077 -13.832 2.180 1.00 0.00 N ATOM 0 H GLN A 55 7.934 -10.582 1.990 1.00 0.00 H new ATOM 0 HA GLN A 55 6.382 -12.457 3.473 1.00 0.00 H new ATOM 0 HB2 GLN A 55 8.980 -13.199 3.992 1.00 0.00 H new ATOM 0 HB3 GLN A 55 8.114 -13.613 2.525 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.203 -11.967 1.244 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.497 -10.928 2.624 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.294 -14.408 1.869 1.00 0.00 H new ATOM 0 HE22 GLN A 55 12.005 -14.244 2.280 1.00 0.00 H new ATOM 882 N GLU A 56 8.468 -10.598 5.268 1.00 0.00 N ATOM 883 CA GLU A 56 8.717 -10.167 6.673 1.00 0.00 C ATOM 884 C GLU A 56 7.412 -9.672 7.301 1.00 0.00 C ATOM 885 O GLU A 56 7.276 -9.616 8.506 1.00 0.00 O ATOM 886 CB GLU A 56 9.768 -9.048 6.699 1.00 0.00 C ATOM 887 CG GLU A 56 9.272 -7.835 5.912 1.00 0.00 C ATOM 888 CD GLU A 56 8.438 -6.925 6.822 1.00 0.00 C ATOM 889 OE1 GLU A 56 8.185 -7.318 7.948 1.00 0.00 O ATOM 890 OE2 GLU A 56 8.072 -5.844 6.378 1.00 0.00 O ATOM 0 H GLU A 56 9.074 -10.172 4.566 1.00 0.00 H new ATOM 0 HA GLU A 56 9.090 -11.016 7.246 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.977 -8.761 7.729 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.704 -9.409 6.272 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.120 -7.281 5.509 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.672 -8.162 5.063 1.00 0.00 H new ATOM 897 N GLU A 57 6.449 -9.315 6.494 1.00 0.00 N ATOM 898 CA GLU A 57 5.156 -8.829 7.054 1.00 0.00 C ATOM 899 C GLU A 57 4.294 -10.020 7.482 1.00 0.00 C ATOM 900 O GLU A 57 4.373 -10.491 8.600 1.00 0.00 O ATOM 901 CB GLU A 57 4.410 -8.012 5.992 1.00 0.00 C ATOM 902 CG GLU A 57 4.556 -6.522 6.301 1.00 0.00 C ATOM 903 CD GLU A 57 4.745 -5.742 4.998 1.00 0.00 C ATOM 904 OE1 GLU A 57 3.958 -5.945 4.092 1.00 0.00 O ATOM 905 OE2 GLU A 57 5.674 -4.953 4.929 1.00 0.00 O ATOM 0 H GLU A 57 6.502 -9.339 5.476 1.00 0.00 H new ATOM 0 HA GLU A 57 5.356 -8.201 7.922 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.811 -8.230 5.002 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.356 -8.290 5.978 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.672 -6.161 6.827 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.408 -6.359 6.961 1.00 0.00 H new ATOM 912 N VAL A 58 3.459 -10.497 6.600 1.00 0.00 N ATOM 913 CA VAL A 58 2.571 -11.641 6.931 1.00 0.00 C ATOM 914 C VAL A 58 3.349 -12.956 6.826 1.00 0.00 C ATOM 915 O VAL A 58 3.792 -13.500 7.819 1.00 0.00 O ATOM 916 CB VAL A 58 1.408 -11.621 5.945 1.00 0.00 C ATOM 917 CG1 VAL A 58 0.397 -12.705 6.295 1.00 0.00 C ATOM 918 CG2 VAL A 58 0.737 -10.249 6.022 1.00 0.00 C ATOM 0 H VAL A 58 3.355 -10.136 5.652 1.00 0.00 H new ATOM 0 HA VAL A 58 2.198 -11.559 7.952 1.00 0.00 H new ATOM 0 HB VAL A 58 1.778 -11.808 4.937 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.427 -12.678 5.582 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.881 -13.681 6.253 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.013 -12.533 7.300 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.099 -10.213 5.323 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.371 -10.079 7.035 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.460 -9.475 5.763 1.00 0.00 H new ATOM 928 N GLY A 59 3.536 -13.472 5.639 1.00 0.00 N ATOM 929 CA GLY A 59 4.304 -14.746 5.511 1.00 0.00 C ATOM 930 C GLY A 59 3.707 -15.655 4.427 1.00 0.00 C ATOM 931 O GLY A 59 3.862 -16.859 4.475 1.00 0.00 O ATOM 0 H GLY A 59 3.196 -13.073 4.764 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.343 -14.523 5.269 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.305 -15.270 6.467 1.00 0.00 H new ATOM 935 N ILE A 60 3.052 -15.108 3.439 1.00 0.00 N ATOM 936 CA ILE A 60 2.492 -15.978 2.364 1.00 0.00 C ATOM 937 C ILE A 60 3.620 -16.294 1.377 1.00 0.00 C ATOM 938 O ILE A 60 4.763 -16.418 1.771 1.00 0.00 O ATOM 939 CB ILE A 60 1.338 -15.255 1.657 1.00 0.00 C ATOM 940 CG1 ILE A 60 1.806 -13.878 1.188 1.00 0.00 C ATOM 941 CG2 ILE A 60 0.174 -15.088 2.635 1.00 0.00 C ATOM 942 CD1 ILE A 60 1.671 -13.776 -0.332 1.00 0.00 C ATOM 0 H ILE A 60 2.881 -14.108 3.329 1.00 0.00 H new ATOM 0 HA ILE A 60 2.099 -16.904 2.784 1.00 0.00 H new ATOM 0 HB ILE A 60 1.015 -15.840 0.796 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.214 -13.099 1.668 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.843 -13.716 1.482 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.649 -14.575 2.137 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.161 -16.069 2.972 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.501 -14.501 3.493 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.006 -12.793 -0.662 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.283 -14.545 -0.804 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.628 -13.918 -0.615 1.00 0.00 H new ATOM 954 N THR A 61 3.339 -16.421 0.110 1.00 0.00 N ATOM 955 CA THR A 61 4.441 -16.722 -0.843 1.00 0.00 C ATOM 956 C THR A 61 4.179 -16.020 -2.187 1.00 0.00 C ATOM 957 O THR A 61 4.867 -15.072 -2.510 1.00 0.00 O ATOM 958 CB THR A 61 4.576 -18.243 -1.007 1.00 0.00 C ATOM 959 OG1 THR A 61 5.393 -18.748 0.041 1.00 0.00 O ATOM 960 CG2 THR A 61 5.220 -18.582 -2.354 1.00 0.00 C ATOM 0 H THR A 61 2.410 -16.331 -0.301 1.00 0.00 H new ATOM 0 HA THR A 61 5.385 -16.341 -0.453 1.00 0.00 H new ATOM 0 HB THR A 61 3.585 -18.695 -0.968 1.00 0.00 H new ATOM 0 HG1 THR A 61 5.384 -18.121 0.794 1.00 0.00 H new ATOM 0 HG21 THR A 61 5.308 -19.664 -2.453 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.600 -18.193 -3.162 1.00 0.00 H new ATOM 0 HG23 THR A 61 6.211 -18.131 -2.407 1.00 0.00 H new ATOM 968 N PRO A 62 3.196 -16.473 -2.936 1.00 0.00 N ATOM 969 CA PRO A 62 2.872 -15.847 -4.222 1.00 0.00 C ATOM 970 C PRO A 62 2.341 -14.443 -3.987 1.00 0.00 C ATOM 971 O PRO A 62 2.412 -13.921 -2.895 1.00 0.00 O ATOM 972 CB PRO A 62 1.773 -16.710 -4.831 1.00 0.00 C ATOM 973 CG PRO A 62 1.302 -17.683 -3.726 1.00 0.00 C ATOM 974 CD PRO A 62 2.337 -17.617 -2.585 1.00 0.00 C ATOM 0 HA PRO A 62 3.745 -15.776 -4.871 1.00 0.00 H new ATOM 0 HB2 PRO A 62 0.946 -16.092 -5.180 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.147 -17.259 -5.695 1.00 0.00 H new ATOM 0 HG2 PRO A 62 0.313 -17.403 -3.364 1.00 0.00 H new ATOM 0 HG3 PRO A 62 1.224 -18.698 -4.116 1.00 0.00 H new ATOM 0 HD2 PRO A 62 1.854 -17.470 -1.619 1.00 0.00 H new ATOM 0 HD3 PRO A 62 2.913 -18.540 -2.517 1.00 0.00 H new ATOM 982 N GLN A 63 1.817 -13.859 -5.026 1.00 0.00 N ATOM 983 CA GLN A 63 1.263 -12.479 -4.996 1.00 0.00 C ATOM 984 C GLN A 63 1.806 -11.784 -6.227 1.00 0.00 C ATOM 985 O GLN A 63 1.280 -10.788 -6.681 1.00 0.00 O ATOM 986 CB GLN A 63 1.719 -11.692 -3.765 1.00 0.00 C ATOM 987 CG GLN A 63 3.245 -11.674 -3.710 1.00 0.00 C ATOM 988 CD GLN A 63 3.734 -10.230 -3.588 1.00 0.00 C ATOM 989 OE1 GLN A 63 2.943 -9.321 -3.433 1.00 0.00 O ATOM 990 NE2 GLN A 63 5.013 -9.978 -3.651 1.00 0.00 N ATOM 0 H GLN A 63 1.748 -14.307 -5.940 1.00 0.00 H new ATOM 0 HA GLN A 63 0.174 -12.527 -4.966 1.00 0.00 H new ATOM 0 HB2 GLN A 63 1.334 -10.673 -3.808 1.00 0.00 H new ATOM 0 HB3 GLN A 63 1.317 -12.147 -2.860 1.00 0.00 H new ATOM 0 HG2 GLN A 63 3.596 -12.261 -2.861 1.00 0.00 H new ATOM 0 HG3 GLN A 63 3.657 -12.134 -4.608 1.00 0.00 H new ATOM 0 HE21 GLN A 63 5.677 -10.741 -3.781 1.00 0.00 H new ATOM 0 HE22 GLN A 63 5.348 -9.018 -3.570 1.00 0.00 H new ATOM 999 N HIS A 64 2.877 -12.306 -6.770 1.00 0.00 N ATOM 1000 CA HIS A 64 3.458 -11.668 -7.962 1.00 0.00 C ATOM 1001 C HIS A 64 3.652 -10.198 -7.623 1.00 0.00 C ATOM 1002 O HIS A 64 3.611 -9.825 -6.468 1.00 0.00 O ATOM 1003 CB HIS A 64 2.482 -11.847 -9.117 1.00 0.00 C ATOM 1004 CG HIS A 64 3.160 -12.582 -10.240 1.00 0.00 C ATOM 1005 ND1 HIS A 64 4.033 -13.635 -10.014 1.00 0.00 N ATOM 1006 CD2 HIS A 64 3.101 -12.430 -11.603 1.00 0.00 C ATOM 1007 CE1 HIS A 64 4.464 -14.069 -11.213 1.00 0.00 C ATOM 1008 NE2 HIS A 64 3.926 -13.370 -12.215 1.00 0.00 N ATOM 0 H HIS A 64 3.361 -13.139 -6.435 1.00 0.00 H new ATOM 0 HA HIS A 64 4.414 -12.105 -8.251 1.00 0.00 H new ATOM 0 HB2 HIS A 64 1.605 -12.402 -8.783 1.00 0.00 H new ATOM 0 HB3 HIS A 64 2.131 -10.875 -9.464 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.505 -11.693 -12.122 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.160 -14.884 -11.348 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.085 -13.497 -13.214 1.00 0.00 H new ATOM 1016 N PHE A 65 3.864 -9.350 -8.576 1.00 0.00 N ATOM 1017 CA PHE A 65 4.049 -7.927 -8.202 1.00 0.00 C ATOM 1018 C PHE A 65 4.220 -7.051 -9.443 1.00 0.00 C ATOM 1019 O PHE A 65 4.810 -7.440 -10.430 1.00 0.00 O ATOM 1020 CB PHE A 65 5.275 -7.795 -7.284 1.00 0.00 C ATOM 1021 CG PHE A 65 6.232 -8.948 -7.513 1.00 0.00 C ATOM 1022 CD1 PHE A 65 6.570 -9.340 -8.816 1.00 0.00 C ATOM 1023 CD2 PHE A 65 6.777 -9.628 -6.417 1.00 0.00 C ATOM 1024 CE1 PHE A 65 7.453 -10.409 -9.020 1.00 0.00 C ATOM 1025 CE2 PHE A 65 7.660 -10.697 -6.621 1.00 0.00 C ATOM 1026 CZ PHE A 65 7.997 -11.087 -7.923 1.00 0.00 C ATOM 0 H PHE A 65 3.917 -9.567 -9.571 1.00 0.00 H new ATOM 0 HA PHE A 65 3.159 -7.586 -7.673 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.782 -6.849 -7.477 1.00 0.00 H new ATOM 0 HB3 PHE A 65 4.957 -7.779 -6.242 1.00 0.00 H new ATOM 0 HD1 PHE A 65 6.150 -8.818 -9.663 1.00 0.00 H new ATOM 0 HD2 PHE A 65 6.516 -9.328 -5.413 1.00 0.00 H new ATOM 0 HE1 PHE A 65 7.714 -10.710 -10.024 1.00 0.00 H new ATOM 0 HE2 PHE A 65 8.080 -11.220 -5.775 1.00 0.00 H new ATOM 0 HZ PHE A 65 8.677 -11.911 -8.081 1.00 0.00 H new ATOM 1036 N SER A 66 3.702 -5.858 -9.382 1.00 0.00 N ATOM 1037 CA SER A 66 3.815 -4.915 -10.528 1.00 0.00 C ATOM 1038 C SER A 66 3.957 -3.504 -9.961 1.00 0.00 C ATOM 1039 O SER A 66 3.373 -3.180 -8.950 1.00 0.00 O ATOM 1040 CB SER A 66 2.555 -5.001 -11.391 1.00 0.00 C ATOM 1041 OG SER A 66 2.909 -5.454 -12.691 1.00 0.00 O ATOM 0 H SER A 66 3.198 -5.491 -8.575 1.00 0.00 H new ATOM 0 HA SER A 66 4.678 -5.165 -11.145 1.00 0.00 H new ATOM 0 HB2 SER A 66 1.836 -5.683 -10.938 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.074 -4.025 -11.451 1.00 0.00 H new ATOM 0 HG SER A 66 2.104 -5.512 -13.247 1.00 0.00 H new ATOM 1047 N LEU A 67 4.739 -2.665 -10.579 1.00 0.00 N ATOM 1048 CA LEU A 67 4.915 -1.288 -10.035 1.00 0.00 C ATOM 1049 C LEU A 67 3.668 -0.444 -10.317 1.00 0.00 C ATOM 1050 O LEU A 67 2.981 -0.034 -9.413 1.00 0.00 O ATOM 1051 CB LEU A 67 6.144 -0.632 -10.687 1.00 0.00 C ATOM 1052 CG LEU A 67 6.643 0.591 -9.882 1.00 0.00 C ATOM 1053 CD1 LEU A 67 6.298 1.872 -10.641 1.00 0.00 C ATOM 1054 CD2 LEU A 67 6.004 0.650 -8.485 1.00 0.00 C ATOM 0 H LEU A 67 5.261 -2.869 -11.431 1.00 0.00 H new ATOM 0 HA LEU A 67 5.062 -1.348 -8.957 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.947 -1.365 -10.767 1.00 0.00 H new ATOM 0 HB3 LEU A 67 5.894 -0.321 -11.701 1.00 0.00 H new ATOM 0 HG LEU A 67 7.722 0.495 -9.761 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.649 2.735 -10.076 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.781 1.857 -11.618 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.218 1.938 -10.771 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.379 1.522 -7.950 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.921 0.722 -8.583 1.00 0.00 H new ATOM 0 HD23 LEU A 67 6.258 -0.253 -7.930 1.00 0.00 H new ATOM 1066 N PHE A 68 3.396 -0.177 -11.566 1.00 0.00 N ATOM 1067 CA PHE A 68 2.214 0.651 -11.956 1.00 0.00 C ATOM 1068 C PHE A 68 2.585 2.134 -11.807 1.00 0.00 C ATOM 1069 O PHE A 68 2.404 2.922 -12.714 1.00 0.00 O ATOM 1070 CB PHE A 68 0.982 0.272 -11.098 1.00 0.00 C ATOM 1071 CG PHE A 68 0.310 1.508 -10.532 1.00 0.00 C ATOM 1072 CD1 PHE A 68 0.752 2.051 -9.320 1.00 0.00 C ATOM 1073 CD2 PHE A 68 -0.747 2.110 -11.226 1.00 0.00 C ATOM 1074 CE1 PHE A 68 0.136 3.196 -8.800 1.00 0.00 C ATOM 1075 CE2 PHE A 68 -1.362 3.255 -10.706 1.00 0.00 C ATOM 1076 CZ PHE A 68 -0.921 3.798 -9.493 1.00 0.00 C ATOM 0 H PHE A 68 3.957 -0.506 -12.352 1.00 0.00 H new ATOM 0 HA PHE A 68 1.945 0.461 -12.995 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.270 -0.287 -11.705 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.290 -0.384 -10.283 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.568 1.587 -8.786 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.087 1.691 -12.162 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.476 3.615 -7.864 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.177 3.720 -11.241 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.396 4.681 -9.092 1.00 0.00 H new ATOM 1086 N GLU A 69 3.112 2.516 -10.677 1.00 0.00 N ATOM 1087 CA GLU A 69 3.506 3.937 -10.480 1.00 0.00 C ATOM 1088 C GLU A 69 3.717 4.208 -8.994 1.00 0.00 C ATOM 1089 O GLU A 69 3.563 3.333 -8.165 1.00 0.00 O ATOM 1090 CB GLU A 69 2.412 4.858 -11.024 1.00 0.00 C ATOM 1091 CG GLU A 69 2.899 5.516 -12.317 1.00 0.00 C ATOM 1092 CD GLU A 69 2.729 7.032 -12.215 1.00 0.00 C ATOM 1093 OE1 GLU A 69 3.250 7.605 -11.274 1.00 0.00 O ATOM 1094 OE2 GLU A 69 2.080 7.595 -13.083 1.00 0.00 O ATOM 0 H GLU A 69 3.287 1.903 -9.880 1.00 0.00 H new ATOM 0 HA GLU A 69 4.435 4.131 -11.017 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.502 4.288 -11.213 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.163 5.621 -10.286 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.946 5.268 -12.491 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.335 5.133 -13.167 1.00 0.00 H new ATOM 1101 N LYS A 70 4.075 5.412 -8.649 1.00 0.00 N ATOM 1102 CA LYS A 70 4.301 5.737 -7.216 1.00 0.00 C ATOM 1103 C LYS A 70 4.218 7.254 -7.027 1.00 0.00 C ATOM 1104 O LYS A 70 4.653 8.014 -7.869 1.00 0.00 O ATOM 1105 CB LYS A 70 5.687 5.232 -6.798 1.00 0.00 C ATOM 1106 CG LYS A 70 6.768 6.187 -7.312 1.00 0.00 C ATOM 1107 CD LYS A 70 8.041 5.398 -7.627 1.00 0.00 C ATOM 1108 CE LYS A 70 7.849 4.623 -8.930 1.00 0.00 C ATOM 1109 NZ LYS A 70 9.020 4.854 -9.821 1.00 0.00 N ATOM 0 H LYS A 70 4.221 6.185 -9.298 1.00 0.00 H new ATOM 0 HA LYS A 70 3.543 5.256 -6.599 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.743 5.156 -5.712 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.854 4.231 -7.197 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.417 6.703 -8.206 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.978 6.952 -6.564 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.890 6.076 -7.716 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.267 4.710 -6.812 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.742 3.559 -8.720 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.933 4.944 -9.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.781 4.563 -10.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.268 5.864 -9.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.830 4.296 -9.482 1.00 0.00 H new ATOM 1123 N LEU A 71 3.666 7.706 -5.935 1.00 0.00 N ATOM 1124 CA LEU A 71 3.567 9.176 -5.721 1.00 0.00 C ATOM 1125 C LEU A 71 4.725 9.650 -4.849 1.00 0.00 C ATOM 1126 O LEU A 71 5.634 8.907 -4.538 1.00 0.00 O ATOM 1127 CB LEU A 71 2.240 9.526 -5.032 1.00 0.00 C ATOM 1128 CG LEU A 71 1.968 8.574 -3.856 1.00 0.00 C ATOM 1129 CD1 LEU A 71 3.133 8.605 -2.859 1.00 0.00 C ATOM 1130 CD2 LEU A 71 0.686 9.018 -3.144 1.00 0.00 C ATOM 0 H LEU A 71 3.283 7.127 -5.188 1.00 0.00 H new ATOM 0 HA LEU A 71 3.609 9.672 -6.691 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.272 10.555 -4.673 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.424 9.464 -5.752 1.00 0.00 H new ATOM 0 HG LEU A 71 1.859 7.559 -4.238 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.923 7.925 -2.033 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.050 8.295 -3.361 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.255 9.617 -2.474 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.484 8.349 -2.308 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.810 10.035 -2.773 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.149 8.986 -3.844 1.00 0.00 H new ATOM 1142 N GLU A 72 4.682 10.883 -4.438 1.00 0.00 N ATOM 1143 CA GLU A 72 5.754 11.424 -3.565 1.00 0.00 C ATOM 1144 C GLU A 72 5.219 12.667 -2.857 1.00 0.00 C ATOM 1145 O GLU A 72 5.248 13.759 -3.389 1.00 0.00 O ATOM 1146 CB GLU A 72 6.985 11.785 -4.402 1.00 0.00 C ATOM 1147 CG GLU A 72 8.255 11.496 -3.595 1.00 0.00 C ATOM 1148 CD GLU A 72 9.481 11.946 -4.390 1.00 0.00 C ATOM 1149 OE1 GLU A 72 9.379 12.945 -5.085 1.00 0.00 O ATOM 1150 OE2 GLU A 72 10.503 11.287 -4.290 1.00 0.00 O ATOM 0 H GLU A 72 3.942 11.545 -4.672 1.00 0.00 H new ATOM 0 HA GLU A 72 6.048 10.674 -2.831 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.990 11.209 -5.327 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.951 12.838 -4.682 1.00 0.00 H new ATOM 0 HG2 GLU A 72 8.217 12.018 -2.639 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.323 10.431 -3.374 1.00 0.00 H new ATOM 1157 N TYR A 73 4.731 12.508 -1.660 1.00 0.00 N ATOM 1158 CA TYR A 73 4.197 13.677 -0.918 1.00 0.00 C ATOM 1159 C TYR A 73 5.381 14.433 -0.334 1.00 0.00 C ATOM 1160 O TYR A 73 6.188 13.878 0.386 1.00 0.00 O ATOM 1161 CB TYR A 73 3.270 13.198 0.203 1.00 0.00 C ATOM 1162 CG TYR A 73 1.968 13.966 0.156 1.00 0.00 C ATOM 1163 CD1 TYR A 73 1.151 13.890 -0.978 1.00 0.00 C ATOM 1164 CD2 TYR A 73 1.577 14.750 1.249 1.00 0.00 C ATOM 1165 CE1 TYR A 73 -0.056 14.598 -1.020 1.00 0.00 C ATOM 1166 CE2 TYR A 73 0.368 15.458 1.207 1.00 0.00 C ATOM 1167 CZ TYR A 73 -0.448 15.381 0.073 1.00 0.00 C ATOM 1168 OH TYR A 73 -1.640 16.077 0.030 1.00 0.00 O ATOM 0 H TYR A 73 4.680 11.618 -1.165 1.00 0.00 H new ATOM 0 HA TYR A 73 3.624 14.326 -1.580 1.00 0.00 H new ATOM 0 HB2 TYR A 73 3.077 12.131 0.096 1.00 0.00 H new ATOM 0 HB3 TYR A 73 3.751 13.340 1.171 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.452 13.285 -1.821 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.207 14.809 2.124 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.685 14.540 -1.896 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.066 16.063 2.050 1.00 0.00 H new ATOM 0 HH TYR A 73 -1.762 16.569 0.869 1.00 0.00 H new ATOM 1178 N GLU A 74 5.513 15.687 -0.649 1.00 0.00 N ATOM 1179 CA GLU A 74 6.665 16.444 -0.121 1.00 0.00 C ATOM 1180 C GLU A 74 6.242 17.213 1.122 1.00 0.00 C ATOM 1181 O GLU A 74 5.140 17.717 1.211 1.00 0.00 O ATOM 1182 CB GLU A 74 7.176 17.423 -1.180 1.00 0.00 C ATOM 1183 CG GLU A 74 8.705 17.418 -1.173 1.00 0.00 C ATOM 1184 CD GLU A 74 9.224 18.680 -1.865 1.00 0.00 C ATOM 1185 OE1 GLU A 74 9.266 18.688 -3.084 1.00 0.00 O ATOM 1186 OE2 GLU A 74 9.572 19.615 -1.165 1.00 0.00 O ATOM 0 H GLU A 74 4.875 16.214 -1.246 1.00 0.00 H new ATOM 0 HA GLU A 74 7.463 15.747 0.136 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.804 17.139 -2.164 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.803 18.426 -0.975 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.074 17.375 -0.148 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.078 16.531 -1.684 1.00 0.00 H new ATOM 1193 N PHE A 75 7.108 17.309 2.081 1.00 0.00 N ATOM 1194 CA PHE A 75 6.763 18.045 3.320 1.00 0.00 C ATOM 1195 C PHE A 75 7.742 19.210 3.480 1.00 0.00 C ATOM 1196 O PHE A 75 8.727 19.278 2.773 1.00 0.00 O ATOM 1197 CB PHE A 75 6.888 17.091 4.509 1.00 0.00 C ATOM 1198 CG PHE A 75 5.546 16.456 4.792 1.00 0.00 C ATOM 1199 CD1 PHE A 75 4.456 17.253 5.159 1.00 0.00 C ATOM 1200 CD2 PHE A 75 5.396 15.067 4.688 1.00 0.00 C ATOM 1201 CE1 PHE A 75 3.215 16.660 5.420 1.00 0.00 C ATOM 1202 CE2 PHE A 75 4.155 14.476 4.949 1.00 0.00 C ATOM 1203 CZ PHE A 75 3.064 15.272 5.316 1.00 0.00 C ATOM 0 H PHE A 75 8.045 16.908 2.061 1.00 0.00 H new ATOM 0 HA PHE A 75 5.744 18.428 3.271 1.00 0.00 H new ATOM 0 HB2 PHE A 75 7.628 16.320 4.294 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.238 17.633 5.388 1.00 0.00 H new ATOM 0 HD1 PHE A 75 4.572 18.324 5.241 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.238 14.452 4.406 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.373 17.274 5.702 1.00 0.00 H new ATOM 0 HE2 PHE A 75 4.039 13.405 4.867 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.106 14.816 5.519 1.00 0.00 H new ATOM 1213 N PRO A 76 7.460 20.087 4.406 1.00 0.00 N ATOM 1214 CA PRO A 76 8.335 21.240 4.662 1.00 0.00 C ATOM 1215 C PRO A 76 9.780 20.758 4.797 1.00 0.00 C ATOM 1216 O PRO A 76 10.718 21.442 4.439 1.00 0.00 O ATOM 1217 CB PRO A 76 7.819 21.827 5.980 1.00 0.00 C ATOM 1218 CG PRO A 76 6.494 21.099 6.328 1.00 0.00 C ATOM 1219 CD PRO A 76 6.272 20.003 5.274 1.00 0.00 C ATOM 0 HA PRO A 76 8.322 21.980 3.862 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.552 21.689 6.774 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.653 22.900 5.883 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.547 20.664 7.326 1.00 0.00 H new ATOM 0 HG3 PRO A 76 5.661 21.802 6.330 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.185 19.019 5.735 1.00 0.00 H new ATOM 0 HD3 PRO A 76 5.355 20.173 4.710 1.00 0.00 H new ATOM 1227 N ASP A 77 9.951 19.569 5.302 1.00 0.00 N ATOM 1228 CA ASP A 77 11.315 18.992 5.463 1.00 0.00 C ATOM 1229 C ASP A 77 11.168 17.482 5.605 1.00 0.00 C ATOM 1230 O ASP A 77 11.818 16.851 6.416 1.00 0.00 O ATOM 1231 CB ASP A 77 11.989 19.564 6.718 1.00 0.00 C ATOM 1232 CG ASP A 77 11.524 21.002 6.951 1.00 0.00 C ATOM 1233 OD1 ASP A 77 10.480 21.176 7.558 1.00 0.00 O ATOM 1234 OD2 ASP A 77 12.219 21.906 6.518 1.00 0.00 O ATOM 0 H ASP A 77 9.192 18.963 5.615 1.00 0.00 H new ATOM 0 HA ASP A 77 11.932 19.241 4.599 1.00 0.00 H new ATOM 0 HB2 ASP A 77 11.745 18.949 7.584 1.00 0.00 H new ATOM 0 HB3 ASP A 77 13.073 19.537 6.603 1.00 0.00 H new ATOM 1239 N ARG A 78 10.297 16.902 4.828 1.00 0.00 N ATOM 1240 CA ARG A 78 10.073 15.437 4.918 1.00 0.00 C ATOM 1241 C ARG A 78 9.745 14.872 3.532 1.00 0.00 C ATOM 1242 O ARG A 78 8.611 14.895 3.097 1.00 0.00 O ATOM 1243 CB ARG A 78 8.896 15.183 5.861 1.00 0.00 C ATOM 1244 CG ARG A 78 9.347 14.292 7.018 1.00 0.00 C ATOM 1245 CD ARG A 78 10.282 15.085 7.939 1.00 0.00 C ATOM 1246 NE ARG A 78 9.940 14.819 9.368 1.00 0.00 N ATOM 1247 CZ ARG A 78 8.693 14.694 9.738 1.00 0.00 C ATOM 1248 NH1 ARG A 78 7.878 15.708 9.635 1.00 0.00 N ATOM 1249 NH2 ARG A 78 8.260 13.553 10.203 1.00 0.00 N ATOM 0 H ARG A 78 9.729 17.384 4.132 1.00 0.00 H new ATOM 0 HA ARG A 78 10.972 14.949 5.294 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.514 16.129 6.245 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.079 14.706 5.319 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.481 13.939 7.578 1.00 0.00 H new ATOM 0 HG3 ARG A 78 9.860 13.410 6.634 1.00 0.00 H new ATOM 0 HD2 ARG A 78 11.318 14.806 7.747 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.195 16.151 7.728 1.00 0.00 H new ATOM 0 HE ARG A 78 10.685 14.734 10.060 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.215 16.597 9.266 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.904 15.611 9.924 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.895 12.759 10.278 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.286 13.456 10.492 1.00 0.00 H new ATOM 1263 N HIS A 79 10.723 14.358 2.835 1.00 0.00 N ATOM 1264 CA HIS A 79 10.451 13.783 1.485 1.00 0.00 C ATOM 1265 C HIS A 79 9.932 12.352 1.654 1.00 0.00 C ATOM 1266 O HIS A 79 10.645 11.475 2.101 1.00 0.00 O ATOM 1267 CB HIS A 79 11.744 13.764 0.663 1.00 0.00 C ATOM 1268 CG HIS A 79 11.932 15.093 -0.018 1.00 0.00 C ATOM 1269 ND1 HIS A 79 12.851 16.029 0.430 1.00 0.00 N ATOM 1270 CD2 HIS A 79 11.332 15.655 -1.118 1.00 0.00 C ATOM 1271 CE1 HIS A 79 12.777 17.094 -0.388 1.00 0.00 C ATOM 1272 NE2 HIS A 79 11.867 16.919 -1.349 1.00 0.00 N ATOM 0 H HIS A 79 11.695 14.311 3.140 1.00 0.00 H new ATOM 0 HA HIS A 79 9.708 14.390 0.968 1.00 0.00 H new ATOM 0 HB2 HIS A 79 12.595 13.553 1.311 1.00 0.00 H new ATOM 0 HB3 HIS A 79 11.703 12.967 -0.079 1.00 0.00 H new ATOM 0 HD1 HIS A 79 13.471 15.928 1.234 1.00 0.00 H new ATOM 0 HD2 HIS A 79 10.562 15.187 -1.713 1.00 0.00 H new ATOM 0 HE1 HIS A 79 13.381 17.983 -0.280 1.00 0.00 H new ATOM 1280 N ILE A 80 8.693 12.109 1.317 1.00 0.00 N ATOM 1281 CA ILE A 80 8.134 10.734 1.479 1.00 0.00 C ATOM 1282 C ILE A 80 7.886 10.101 0.109 1.00 0.00 C ATOM 1283 O ILE A 80 7.855 10.765 -0.907 1.00 0.00 O ATOM 1284 CB ILE A 80 6.806 10.803 2.249 1.00 0.00 C ATOM 1285 CG1 ILE A 80 7.084 11.036 3.737 1.00 0.00 C ATOM 1286 CG2 ILE A 80 6.035 9.490 2.089 1.00 0.00 C ATOM 1287 CD1 ILE A 80 8.073 12.189 3.902 1.00 0.00 C ATOM 0 H ILE A 80 8.046 12.800 0.938 1.00 0.00 H new ATOM 0 HA ILE A 80 8.851 10.127 2.032 1.00 0.00 H new ATOM 0 HB ILE A 80 6.212 11.625 1.848 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.155 11.264 4.259 1.00 0.00 H new ATOM 0 HG13 ILE A 80 7.489 10.130 4.187 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.096 9.550 2.639 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.827 9.317 1.033 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.633 8.667 2.481 1.00 0.00 H new ATOM 0 HD11 ILE A 80 8.268 12.352 4.962 1.00 0.00 H new ATOM 0 HD12 ILE A 80 9.006 11.944 3.395 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.651 13.095 3.467 1.00 0.00 H new ATOM 1299 N THR A 81 7.688 8.814 0.095 1.00 0.00 N ATOM 1300 CA THR A 81 7.415 8.096 -1.178 1.00 0.00 C ATOM 1301 C THR A 81 6.605 6.840 -0.858 1.00 0.00 C ATOM 1302 O THR A 81 6.739 6.261 0.202 1.00 0.00 O ATOM 1303 CB THR A 81 8.730 7.687 -1.839 1.00 0.00 C ATOM 1304 OG1 THR A 81 9.733 8.649 -1.537 1.00 0.00 O ATOM 1305 CG2 THR A 81 8.533 7.605 -3.354 1.00 0.00 C ATOM 0 H THR A 81 7.704 8.221 0.925 1.00 0.00 H new ATOM 0 HA THR A 81 6.863 8.746 -1.857 1.00 0.00 H new ATOM 0 HB THR A 81 9.041 6.713 -1.461 1.00 0.00 H new ATOM 0 HG1 THR A 81 10.509 8.505 -2.117 1.00 0.00 H new ATOM 0 HG21 THR A 81 9.470 7.313 -3.828 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.766 6.865 -3.582 1.00 0.00 H new ATOM 0 HG23 THR A 81 8.222 8.578 -3.734 1.00 0.00 H new ATOM 1313 N LEU A 82 5.767 6.407 -1.755 1.00 0.00 N ATOM 1314 CA LEU A 82 4.962 5.185 -1.473 1.00 0.00 C ATOM 1315 C LEU A 82 4.930 4.286 -2.709 1.00 0.00 C ATOM 1316 O LEU A 82 3.953 4.242 -3.429 1.00 0.00 O ATOM 1317 CB LEU A 82 3.535 5.590 -1.096 1.00 0.00 C ATOM 1318 CG LEU A 82 3.088 4.794 0.130 1.00 0.00 C ATOM 1319 CD1 LEU A 82 3.264 5.647 1.386 1.00 0.00 C ATOM 1320 CD2 LEU A 82 1.614 4.408 -0.019 1.00 0.00 C ATOM 0 H LEU A 82 5.604 6.840 -2.664 1.00 0.00 H new ATOM 0 HA LEU A 82 5.416 4.639 -0.646 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.492 6.658 -0.885 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.860 5.403 -1.931 1.00 0.00 H new ATOM 0 HG LEU A 82 3.694 3.892 0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.945 5.078 2.260 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.313 5.922 1.495 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.660 6.550 1.300 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.296 3.840 0.856 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.009 5.310 -0.106 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.486 3.798 -0.913 1.00 0.00 H new ATOM 1332 N TRP A 83 5.989 3.566 -2.962 1.00 0.00 N ATOM 1333 CA TRP A 83 6.003 2.669 -4.157 1.00 0.00 C ATOM 1334 C TRP A 83 4.697 1.868 -4.216 1.00 0.00 C ATOM 1335 O TRP A 83 4.409 1.073 -3.345 1.00 0.00 O ATOM 1336 CB TRP A 83 7.178 1.696 -4.060 1.00 0.00 C ATOM 1337 CG TRP A 83 8.462 2.439 -4.220 1.00 0.00 C ATOM 1338 CD1 TRP A 83 9.109 3.092 -3.230 1.00 0.00 C ATOM 1339 CD2 TRP A 83 9.266 2.616 -5.422 1.00 0.00 C ATOM 1340 NE1 TRP A 83 10.261 3.655 -3.747 1.00 0.00 N ATOM 1341 CE2 TRP A 83 10.401 3.391 -5.094 1.00 0.00 C ATOM 1342 CE3 TRP A 83 9.121 2.181 -6.752 1.00 0.00 C ATOM 1343 CZ2 TRP A 83 11.360 3.727 -6.049 1.00 0.00 C ATOM 1344 CZ3 TRP A 83 10.085 2.517 -7.717 1.00 0.00 C ATOM 1345 CH2 TRP A 83 11.203 3.288 -7.365 1.00 0.00 C ATOM 0 H TRP A 83 6.840 3.558 -2.399 1.00 0.00 H new ATOM 0 HA TRP A 83 6.104 3.278 -5.056 1.00 0.00 H new ATOM 0 HB2 TRP A 83 7.160 1.185 -3.098 1.00 0.00 H new ATOM 0 HB3 TRP A 83 7.092 0.929 -4.830 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.780 3.163 -2.204 1.00 0.00 H new ATOM 0 HE1 TRP A 83 10.927 4.200 -3.199 1.00 0.00 H new ATOM 0 HE3 TRP A 83 8.264 1.586 -7.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 12.218 4.322 -5.773 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 9.965 2.180 -8.736 1.00 0.00 H new ATOM 0 HH2 TRP A 83 11.941 3.542 -8.111 1.00 0.00 H new ATOM 1356 N PHE A 84 3.906 2.069 -5.236 1.00 0.00 N ATOM 1357 CA PHE A 84 2.621 1.314 -5.342 1.00 0.00 C ATOM 1358 C PHE A 84 2.832 0.039 -6.155 1.00 0.00 C ATOM 1359 O PHE A 84 2.353 -0.076 -7.260 1.00 0.00 O ATOM 1360 CB PHE A 84 1.575 2.175 -6.051 1.00 0.00 C ATOM 1361 CG PHE A 84 0.928 3.102 -5.051 1.00 0.00 C ATOM 1362 CD1 PHE A 84 1.604 4.247 -4.615 1.00 0.00 C ATOM 1363 CD2 PHE A 84 -0.348 2.810 -4.553 1.00 0.00 C ATOM 1364 CE1 PHE A 84 1.005 5.099 -3.680 1.00 0.00 C ATOM 1365 CE2 PHE A 84 -0.947 3.662 -3.619 1.00 0.00 C ATOM 1366 CZ PHE A 84 -0.271 4.807 -3.182 1.00 0.00 C ATOM 0 H PHE A 84 4.092 2.721 -5.998 1.00 0.00 H new ATOM 0 HA PHE A 84 2.280 1.061 -4.338 1.00 0.00 H new ATOM 0 HB2 PHE A 84 2.043 2.752 -6.849 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.821 1.541 -6.517 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.587 4.473 -5.000 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.870 1.927 -4.890 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.527 5.982 -3.342 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.931 3.436 -3.235 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.733 5.465 -2.461 1.00 0.00 H new ATOM 1376 N TRP A 85 3.516 -0.932 -5.619 1.00 0.00 N ATOM 1377 CA TRP A 85 3.719 -2.193 -6.386 1.00 0.00 C ATOM 1378 C TRP A 85 2.418 -2.999 -6.376 1.00 0.00 C ATOM 1379 O TRP A 85 2.166 -3.778 -5.477 1.00 0.00 O ATOM 1380 CB TRP A 85 4.837 -3.015 -5.743 1.00 0.00 C ATOM 1381 CG TRP A 85 6.161 -2.529 -6.244 1.00 0.00 C ATOM 1382 CD1 TRP A 85 6.825 -1.453 -5.763 1.00 0.00 C ATOM 1383 CD2 TRP A 85 6.988 -3.076 -7.313 1.00 0.00 C ATOM 1384 NE1 TRP A 85 8.005 -1.304 -6.468 1.00 0.00 N ATOM 1385 CE2 TRP A 85 8.151 -2.279 -7.433 1.00 0.00 C ATOM 1386 CE3 TRP A 85 6.844 -4.174 -8.181 1.00 0.00 C ATOM 1387 CZ2 TRP A 85 9.136 -2.562 -8.382 1.00 0.00 C ATOM 1388 CZ3 TRP A 85 7.835 -4.460 -9.136 1.00 0.00 C ATOM 1389 CH2 TRP A 85 8.978 -3.654 -9.235 1.00 0.00 C ATOM 0 H TRP A 85 3.940 -0.909 -4.692 1.00 0.00 H new ATOM 0 HA TRP A 85 3.997 -1.956 -7.413 1.00 0.00 H new ATOM 0 HB2 TRP A 85 4.791 -2.926 -4.658 1.00 0.00 H new ATOM 0 HB3 TRP A 85 4.711 -4.071 -5.982 1.00 0.00 H new ATOM 0 HD1 TRP A 85 6.488 -0.815 -4.960 1.00 0.00 H new ATOM 0 HE1 TRP A 85 8.685 -0.563 -6.296 1.00 0.00 H new ATOM 0 HE3 TRP A 85 5.967 -4.801 -8.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 10.015 -1.939 -8.455 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 7.715 -5.305 -9.797 1.00 0.00 H new ATOM 0 HH2 TRP A 85 9.736 -3.879 -9.971 1.00 0.00 H new ATOM 1400 N LEU A 86 1.575 -2.815 -7.357 1.00 0.00 N ATOM 1401 CA LEU A 86 0.293 -3.571 -7.370 1.00 0.00 C ATOM 1402 C LEU A 86 0.546 -5.038 -7.723 1.00 0.00 C ATOM 1403 O LEU A 86 1.162 -5.357 -8.720 1.00 0.00 O ATOM 1404 CB LEU A 86 -0.657 -2.961 -8.400 1.00 0.00 C ATOM 1405 CG LEU A 86 -1.476 -1.845 -7.750 1.00 0.00 C ATOM 1406 CD1 LEU A 86 -2.139 -2.362 -6.470 1.00 0.00 C ATOM 1407 CD2 LEU A 86 -0.552 -0.673 -7.415 1.00 0.00 C ATOM 0 H LEU A 86 1.718 -2.180 -8.142 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.155 -3.514 -6.378 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.090 -2.565 -9.242 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.321 -3.729 -8.796 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.251 -1.515 -8.441 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.721 -1.562 -6.013 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.798 -3.196 -6.713 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.371 -2.697 -5.772 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.131 0.126 -6.951 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.223 -1.007 -6.725 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.089 -0.302 -8.329 1.00 0.00 H new ATOM 1419 N VAL A 87 0.060 -5.929 -6.907 1.00 0.00 N ATOM 1420 CA VAL A 87 0.248 -7.390 -7.177 1.00 0.00 C ATOM 1421 C VAL A 87 -1.139 -8.008 -7.422 1.00 0.00 C ATOM 1422 O VAL A 87 -2.140 -7.340 -7.260 1.00 0.00 O ATOM 1423 CB VAL A 87 0.966 -8.053 -5.977 1.00 0.00 C ATOM 1424 CG1 VAL A 87 1.656 -6.976 -5.125 1.00 0.00 C ATOM 1425 CG2 VAL A 87 -0.030 -8.826 -5.100 1.00 0.00 C ATOM 0 H VAL A 87 -0.463 -5.712 -6.059 1.00 0.00 H new ATOM 0 HA VAL A 87 0.871 -7.551 -8.057 1.00 0.00 H new ATOM 0 HB VAL A 87 1.706 -8.751 -6.368 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.160 -7.447 -4.281 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.387 -6.444 -5.734 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.911 -6.272 -4.755 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.500 -9.283 -4.264 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -0.788 -8.141 -4.719 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.510 -9.604 -5.694 1.00 0.00 H new ATOM 1435 N GLU A 88 -1.232 -9.256 -7.822 1.00 0.00 N ATOM 1436 CA GLU A 88 -2.600 -9.810 -8.071 1.00 0.00 C ATOM 1437 C GLU A 88 -2.661 -11.347 -7.992 1.00 0.00 C ATOM 1438 O GLU A 88 -3.460 -11.958 -8.674 1.00 0.00 O ATOM 1439 CB GLU A 88 -3.059 -9.377 -9.466 1.00 0.00 C ATOM 1440 CG GLU A 88 -3.254 -7.859 -9.505 1.00 0.00 C ATOM 1441 CD GLU A 88 -3.872 -7.460 -10.846 1.00 0.00 C ATOM 1442 OE1 GLU A 88 -5.088 -7.477 -10.943 1.00 0.00 O ATOM 1443 OE2 GLU A 88 -3.119 -7.149 -11.754 1.00 0.00 O ATOM 0 H GLU A 88 -0.452 -9.893 -7.982 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.249 -9.420 -7.287 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.321 -9.676 -10.210 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.992 -9.879 -9.723 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.900 -7.543 -8.686 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.297 -7.355 -9.369 1.00 0.00 H new ATOM 1450 N ARG A 89 -1.878 -11.995 -7.167 1.00 0.00 N ATOM 1451 CA ARG A 89 -2.001 -13.489 -7.096 1.00 0.00 C ATOM 1452 C ARG A 89 -1.404 -14.033 -5.789 1.00 0.00 C ATOM 1453 O ARG A 89 -0.559 -14.892 -5.789 1.00 0.00 O ATOM 1454 CB ARG A 89 -1.328 -14.140 -8.321 1.00 0.00 C ATOM 1455 CG ARG A 89 0.183 -14.307 -8.110 1.00 0.00 C ATOM 1456 CD ARG A 89 0.510 -15.790 -7.880 1.00 0.00 C ATOM 1457 NE ARG A 89 0.917 -16.419 -9.169 1.00 0.00 N ATOM 1458 CZ ARG A 89 1.480 -17.598 -9.177 1.00 0.00 C ATOM 1459 NH1 ARG A 89 2.615 -17.786 -8.562 1.00 0.00 N ATOM 1460 NH2 ARG A 89 0.906 -18.589 -9.801 1.00 0.00 N ATOM 0 H ARG A 89 -1.178 -11.574 -6.556 1.00 0.00 H new ATOM 0 HA ARG A 89 -3.060 -13.745 -7.106 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.780 -15.114 -8.511 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.508 -13.527 -9.205 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.725 -13.935 -8.979 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.509 -13.715 -7.254 1.00 0.00 H new ATOM 0 HD2 ARG A 89 1.312 -15.887 -7.148 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -0.359 -16.305 -7.471 1.00 0.00 H new ATOM 0 HE ARG A 89 0.755 -15.927 -10.048 1.00 0.00 H new ATOM 0 HH11 ARG A 89 3.065 -17.012 -8.074 1.00 0.00 H new ATOM 0 HH12 ARG A 89 3.053 -18.707 -8.570 1.00 0.00 H new ATOM 0 HH21 ARG A 89 0.018 -18.443 -10.282 1.00 0.00 H new ATOM 0 HH22 ARG A 89 1.345 -19.510 -9.808 1.00 0.00 H new ATOM 1474 N TRP A 90 -1.860 -13.561 -4.661 1.00 0.00 N ATOM 1475 CA TRP A 90 -1.313 -14.088 -3.374 1.00 0.00 C ATOM 1476 C TRP A 90 -1.959 -15.440 -3.060 1.00 0.00 C ATOM 1477 O TRP A 90 -3.018 -15.766 -3.557 1.00 0.00 O ATOM 1478 CB TRP A 90 -1.608 -13.110 -2.234 1.00 0.00 C ATOM 1479 CG TRP A 90 -3.061 -13.164 -1.879 1.00 0.00 C ATOM 1480 CD1 TRP A 90 -3.643 -14.181 -1.208 1.00 0.00 C ATOM 1481 CD2 TRP A 90 -4.122 -12.193 -2.149 1.00 0.00 C ATOM 1482 NE1 TRP A 90 -4.986 -13.905 -1.053 1.00 0.00 N ATOM 1483 CE2 TRP A 90 -5.331 -12.695 -1.612 1.00 0.00 C ATOM 1484 CE3 TRP A 90 -4.160 -10.942 -2.799 1.00 0.00 C ATOM 1485 CZ2 TRP A 90 -6.530 -11.991 -1.713 1.00 0.00 C ATOM 1486 CZ3 TRP A 90 -5.371 -10.230 -2.899 1.00 0.00 C ATOM 1487 CH2 TRP A 90 -6.550 -10.755 -2.359 1.00 0.00 C ATOM 0 H TRP A 90 -2.578 -12.842 -4.572 1.00 0.00 H new ATOM 0 HA TRP A 90 -0.234 -14.207 -3.472 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -1.002 -13.360 -1.363 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -1.335 -12.098 -2.532 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -3.139 -15.067 -0.851 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -5.645 -14.524 -0.580 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -3.257 -10.528 -3.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -7.437 -12.400 -1.294 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -5.390 -9.271 -3.396 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -7.475 -10.204 -2.442 1.00 0.00 H new ATOM 1498 N GLU A 91 -1.328 -16.230 -2.233 1.00 0.00 N ATOM 1499 CA GLU A 91 -1.911 -17.562 -1.886 1.00 0.00 C ATOM 1500 C GLU A 91 -2.847 -17.414 -0.682 1.00 0.00 C ATOM 1501 O GLU A 91 -2.523 -16.738 0.264 1.00 0.00 O ATOM 1502 CB GLU A 91 -0.767 -18.548 -1.560 1.00 0.00 C ATOM 1503 CG GLU A 91 -0.846 -19.046 -0.106 1.00 0.00 C ATOM 1504 CD GLU A 91 0.316 -19.999 0.174 1.00 0.00 C ATOM 1505 OE1 GLU A 91 0.554 -20.869 -0.647 1.00 0.00 O ATOM 1506 OE2 GLU A 91 0.948 -19.843 1.205 1.00 0.00 O ATOM 0 H GLU A 91 -0.438 -16.014 -1.784 1.00 0.00 H new ATOM 0 HA GLU A 91 -2.484 -17.947 -2.729 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -0.814 -19.399 -2.240 1.00 0.00 H new ATOM 0 HB3 GLU A 91 0.193 -18.060 -1.726 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.810 -18.201 0.581 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -1.795 -19.554 0.064 1.00 0.00 H new ATOM 1513 N GLY A 92 -3.982 -18.073 -0.719 1.00 0.00 N ATOM 1514 CA GLY A 92 -4.958 -18.029 0.421 1.00 0.00 C ATOM 1515 C GLY A 92 -4.937 -16.674 1.135 1.00 0.00 C ATOM 1516 O GLY A 92 -5.791 -15.841 0.923 1.00 0.00 O ATOM 0 H GLY A 92 -4.279 -18.650 -1.506 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -5.963 -18.228 0.047 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -4.721 -18.819 1.133 1.00 0.00 H new ATOM 1520 N GLU A 93 -3.979 -16.455 1.991 1.00 0.00 N ATOM 1521 CA GLU A 93 -3.910 -15.164 2.723 1.00 0.00 C ATOM 1522 C GLU A 93 -2.981 -14.200 1.980 1.00 0.00 C ATOM 1523 O GLU A 93 -1.993 -14.616 1.411 1.00 0.00 O ATOM 1524 CB GLU A 93 -3.343 -15.410 4.118 1.00 0.00 C ATOM 1525 CG GLU A 93 -4.152 -16.506 4.813 1.00 0.00 C ATOM 1526 CD GLU A 93 -5.088 -15.871 5.842 1.00 0.00 C ATOM 1527 OE1 GLU A 93 -6.000 -15.171 5.434 1.00 0.00 O ATOM 1528 OE2 GLU A 93 -4.876 -16.093 7.024 1.00 0.00 O ATOM 0 H GLU A 93 -3.238 -17.119 2.215 1.00 0.00 H new ATOM 0 HA GLU A 93 -4.909 -14.734 2.791 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.296 -15.705 4.049 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.378 -14.491 4.703 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -4.729 -17.069 4.079 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.482 -17.213 5.302 1.00 0.00 H new ATOM 1535 N PRO A 94 -3.321 -12.941 2.013 1.00 0.00 N ATOM 1536 CA PRO A 94 -2.518 -11.895 1.360 1.00 0.00 C ATOM 1537 C PRO A 94 -1.319 -11.539 2.244 1.00 0.00 C ATOM 1538 O PRO A 94 -0.964 -12.264 3.153 1.00 0.00 O ATOM 1539 CB PRO A 94 -3.461 -10.691 1.284 1.00 0.00 C ATOM 1540 CG PRO A 94 -4.629 -10.971 2.264 1.00 0.00 C ATOM 1541 CD PRO A 94 -4.540 -12.449 2.678 1.00 0.00 C ATOM 0 HA PRO A 94 -2.138 -12.204 0.386 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -2.939 -9.774 1.557 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -3.833 -10.555 0.268 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -4.560 -10.323 3.138 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -5.587 -10.763 1.788 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -4.473 -12.555 3.761 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.420 -13.006 2.357 1.00 0.00 H new ATOM 1549 N TRP A 95 -0.721 -10.404 2.010 1.00 0.00 N ATOM 1550 CA TRP A 95 0.419 -9.970 2.857 1.00 0.00 C ATOM 1551 C TRP A 95 0.879 -8.570 2.437 1.00 0.00 C ATOM 1552 O TRP A 95 1.317 -8.343 1.331 1.00 0.00 O ATOM 1553 CB TRP A 95 1.576 -10.982 2.783 1.00 0.00 C ATOM 1554 CG TRP A 95 2.205 -11.020 1.419 1.00 0.00 C ATOM 1555 CD1 TRP A 95 1.644 -10.573 0.271 1.00 0.00 C ATOM 1556 CD2 TRP A 95 3.513 -11.552 1.053 1.00 0.00 C ATOM 1557 NE1 TRP A 95 2.537 -10.773 -0.769 1.00 0.00 N ATOM 1558 CE2 TRP A 95 3.702 -11.378 -0.338 1.00 0.00 C ATOM 1559 CE3 TRP A 95 4.548 -12.157 1.791 1.00 0.00 C ATOM 1560 CZ2 TRP A 95 4.879 -11.789 -0.972 1.00 0.00 C ATOM 1561 CZ3 TRP A 95 5.727 -12.576 1.152 1.00 0.00 C ATOM 1562 CH2 TRP A 95 5.891 -12.390 -0.225 1.00 0.00 C ATOM 0 H TRP A 95 -0.976 -9.757 1.264 1.00 0.00 H new ATOM 0 HA TRP A 95 0.088 -9.928 3.895 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.332 -10.723 3.524 1.00 0.00 H new ATOM 0 HB3 TRP A 95 1.206 -11.975 3.039 1.00 0.00 H new ATOM 0 HD1 TRP A 95 0.662 -10.133 0.181 1.00 0.00 H new ATOM 0 HE1 TRP A 95 2.356 -10.506 -1.737 1.00 0.00 H new ATOM 0 HE3 TRP A 95 4.435 -12.300 2.856 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 5.003 -11.642 -2.035 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 6.512 -13.045 1.727 1.00 0.00 H new ATOM 0 HH2 TRP A 95 6.801 -12.712 -0.709 1.00 0.00 H new ATOM 1573 N GLY A 96 0.763 -7.619 3.320 1.00 0.00 N ATOM 1574 CA GLY A 96 1.177 -6.231 2.976 1.00 0.00 C ATOM 1575 C GLY A 96 0.665 -5.262 4.042 1.00 0.00 C ATOM 1576 O GLY A 96 1.306 -4.279 4.355 1.00 0.00 O ATOM 0 H GLY A 96 0.399 -7.743 4.265 1.00 0.00 H new ATOM 0 HA2 GLY A 96 2.263 -6.171 2.908 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.781 -5.955 1.999 1.00 0.00 H new ATOM 1580 N LYS A 97 -0.492 -5.529 4.593 1.00 0.00 N ATOM 1581 CA LYS A 97 -1.057 -4.616 5.636 1.00 0.00 C ATOM 1582 C LYS A 97 0.060 -4.129 6.560 1.00 0.00 C ATOM 1583 O LYS A 97 0.483 -4.824 7.464 1.00 0.00 O ATOM 1584 CB LYS A 97 -2.127 -5.327 6.484 1.00 0.00 C ATOM 1585 CG LYS A 97 -2.100 -6.840 6.255 1.00 0.00 C ATOM 1586 CD LYS A 97 -0.695 -7.384 6.521 1.00 0.00 C ATOM 1587 CE LYS A 97 -0.627 -7.948 7.940 1.00 0.00 C ATOM 1588 NZ LYS A 97 0.746 -7.750 8.481 1.00 0.00 N ATOM 0 H LYS A 97 -1.070 -6.338 4.367 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.519 -3.773 5.123 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.959 -5.113 7.540 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -3.113 -4.936 6.232 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.819 -7.329 6.913 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.399 -7.067 5.232 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.452 -8.162 5.797 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.043 -6.591 6.398 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.357 -7.450 8.578 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.879 -9.008 7.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 0.747 -7.942 9.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 1.404 -8.401 8.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 1.047 -6.769 8.312 1.00 0.00 H new ATOM 1602 N GLU A 98 0.534 -2.932 6.346 1.00 0.00 N ATOM 1603 CA GLU A 98 1.615 -2.388 7.212 1.00 0.00 C ATOM 1604 C GLU A 98 0.995 -1.873 8.509 1.00 0.00 C ATOM 1605 O GLU A 98 0.357 -0.839 8.533 1.00 0.00 O ATOM 1606 CB GLU A 98 2.318 -1.240 6.491 1.00 0.00 C ATOM 1607 CG GLU A 98 3.542 -0.811 7.297 1.00 0.00 C ATOM 1608 CD GLU A 98 4.449 -2.019 7.531 1.00 0.00 C ATOM 1609 OE1 GLU A 98 4.850 -2.629 6.556 1.00 0.00 O ATOM 1610 OE2 GLU A 98 4.725 -2.314 8.682 1.00 0.00 O ATOM 0 H GLU A 98 0.217 -2.306 5.606 1.00 0.00 H new ATOM 0 HA GLU A 98 2.341 -3.170 7.433 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.618 -1.553 5.491 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.635 -0.399 6.370 1.00 0.00 H new ATOM 0 HG2 GLU A 98 4.087 -0.032 6.764 1.00 0.00 H new ATOM 0 HG3 GLU A 98 3.231 -0.386 8.251 1.00 0.00 H new ATOM 1617 N GLY A 99 1.161 -2.586 9.587 1.00 0.00 N ATOM 1618 CA GLY A 99 0.561 -2.128 10.869 1.00 0.00 C ATOM 1619 C GLY A 99 -0.914 -1.809 10.626 1.00 0.00 C ATOM 1620 O GLY A 99 -1.487 -0.942 11.256 1.00 0.00 O ATOM 0 H GLY A 99 1.683 -3.461 9.636 1.00 0.00 H new ATOM 0 HA2 GLY A 99 0.661 -2.900 11.632 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.084 -1.246 11.238 1.00 0.00 H new ATOM 1624 N GLN A 100 -1.527 -2.502 9.704 1.00 0.00 N ATOM 1625 CA GLN A 100 -2.962 -2.245 9.399 1.00 0.00 C ATOM 1626 C GLN A 100 -3.709 -3.584 9.301 1.00 0.00 C ATOM 1627 O GLN A 100 -3.092 -4.626 9.203 1.00 0.00 O ATOM 1628 CB GLN A 100 -3.054 -1.474 8.072 1.00 0.00 C ATOM 1629 CG GLN A 100 -2.991 -2.447 6.891 1.00 0.00 C ATOM 1630 CD GLN A 100 -3.167 -1.674 5.583 1.00 0.00 C ATOM 1631 OE1 GLN A 100 -3.714 -2.189 4.628 1.00 0.00 O ATOM 1632 NE2 GLN A 100 -2.720 -0.452 5.499 1.00 0.00 N ATOM 0 H GLN A 100 -1.093 -3.238 9.147 1.00 0.00 H new ATOM 0 HA GLN A 100 -3.419 -1.651 10.190 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -3.984 -0.907 8.036 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -2.238 -0.754 8.004 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -2.036 -2.972 6.890 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -3.771 -3.203 6.987 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -2.261 -0.021 6.301 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -2.829 0.073 4.631 1.00 0.00 H new ATOM 1641 N PRO A 101 -5.016 -3.516 9.336 1.00 0.00 N ATOM 1642 CA PRO A 101 -5.869 -4.719 9.260 1.00 0.00 C ATOM 1643 C PRO A 101 -5.685 -5.421 7.915 1.00 0.00 C ATOM 1644 O PRO A 101 -5.556 -6.629 7.847 1.00 0.00 O ATOM 1645 CB PRO A 101 -7.304 -4.192 9.382 1.00 0.00 C ATOM 1646 CG PRO A 101 -7.229 -2.652 9.542 1.00 0.00 C ATOM 1647 CD PRO A 101 -5.751 -2.245 9.456 1.00 0.00 C ATOM 0 HA PRO A 101 -5.623 -5.443 10.036 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.885 -4.457 8.499 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -7.805 -4.642 10.239 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -7.808 -2.158 8.762 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -7.655 -2.346 10.497 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -5.568 -1.600 8.597 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -5.441 -1.691 10.342 1.00 0.00 H new ATOM 1655 N GLY A 102 -5.689 -4.678 6.844 1.00 0.00 N ATOM 1656 CA GLY A 102 -5.534 -5.310 5.507 1.00 0.00 C ATOM 1657 C GLY A 102 -6.690 -6.286 5.290 1.00 0.00 C ATOM 1658 O GLY A 102 -6.813 -7.278 5.979 1.00 0.00 O ATOM 0 H GLY A 102 -5.793 -3.663 6.837 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -5.531 -4.549 4.727 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.580 -5.834 5.445 1.00 0.00 H new ATOM 1662 N GLU A 103 -7.543 -6.014 4.345 1.00 0.00 N ATOM 1663 CA GLU A 103 -8.691 -6.940 4.095 1.00 0.00 C ATOM 1664 C GLU A 103 -9.123 -6.856 2.635 1.00 0.00 C ATOM 1665 O GLU A 103 -9.274 -5.784 2.084 1.00 0.00 O ATOM 1666 CB GLU A 103 -9.881 -6.573 4.993 1.00 0.00 C ATOM 1667 CG GLU A 103 -10.025 -5.053 5.096 1.00 0.00 C ATOM 1668 CD GLU A 103 -10.565 -4.690 6.480 1.00 0.00 C ATOM 1669 OE1 GLU A 103 -10.023 -5.186 7.454 1.00 0.00 O ATOM 1670 OE2 GLU A 103 -11.511 -3.923 6.543 1.00 0.00 O ATOM 0 H GLU A 103 -7.500 -5.197 3.736 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.367 -7.955 4.323 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -10.796 -7.004 4.588 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -9.740 -6.999 5.986 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -9.060 -4.573 4.932 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -10.699 -4.687 4.322 1.00 0.00 H new ATOM 1677 N TRP A 104 -9.338 -7.981 2.001 1.00 0.00 N ATOM 1678 CA TRP A 104 -9.777 -7.950 0.580 1.00 0.00 C ATOM 1679 C TRP A 104 -10.893 -6.919 0.456 1.00 0.00 C ATOM 1680 O TRP A 104 -11.794 -6.867 1.269 1.00 0.00 O ATOM 1681 CB TRP A 104 -10.294 -9.329 0.157 1.00 0.00 C ATOM 1682 CG TRP A 104 -9.411 -10.385 0.738 1.00 0.00 C ATOM 1683 CD1 TRP A 104 -8.133 -10.613 0.368 1.00 0.00 C ATOM 1684 CD2 TRP A 104 -9.713 -11.349 1.788 1.00 0.00 C ATOM 1685 NE1 TRP A 104 -7.630 -11.657 1.120 1.00 0.00 N ATOM 1686 CE2 TRP A 104 -8.564 -12.145 2.010 1.00 0.00 C ATOM 1687 CE3 TRP A 104 -10.858 -11.610 2.559 1.00 0.00 C ATOM 1688 CZ2 TRP A 104 -8.553 -13.162 2.964 1.00 0.00 C ATOM 1689 CZ3 TRP A 104 -10.851 -12.633 3.521 1.00 0.00 C ATOM 1690 CH2 TRP A 104 -9.699 -13.408 3.724 1.00 0.00 C ATOM 0 H TRP A 104 -9.229 -8.911 2.405 1.00 0.00 H new ATOM 0 HA TRP A 104 -8.940 -7.686 -0.066 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -11.320 -9.467 0.500 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -10.308 -9.408 -0.930 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -7.592 -10.068 -0.392 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -6.682 -12.023 1.028 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -11.750 -11.020 2.411 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -7.664 -13.756 3.114 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -11.737 -12.824 4.108 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -9.698 -14.193 4.466 1.00 0.00 H new ATOM 1701 N MET A 105 -10.838 -6.088 -0.538 1.00 0.00 N ATOM 1702 CA MET A 105 -11.893 -5.054 -0.684 1.00 0.00 C ATOM 1703 C MET A 105 -12.496 -5.153 -2.080 1.00 0.00 C ATOM 1704 O MET A 105 -11.822 -4.956 -3.063 1.00 0.00 O ATOM 1705 CB MET A 105 -11.269 -3.674 -0.476 1.00 0.00 C ATOM 1706 CG MET A 105 -12.293 -2.738 0.165 1.00 0.00 C ATOM 1707 SD MET A 105 -13.804 -2.722 -0.831 1.00 0.00 S ATOM 1708 CE MET A 105 -14.389 -1.086 -0.328 1.00 0.00 C ATOM 0 H MET A 105 -10.112 -6.078 -1.254 1.00 0.00 H new ATOM 0 HA MET A 105 -12.678 -5.207 0.056 1.00 0.00 H new ATOM 0 HB2 MET A 105 -10.387 -3.755 0.160 1.00 0.00 H new ATOM 0 HB3 MET A 105 -10.937 -3.267 -1.431 1.00 0.00 H new ATOM 0 HG2 MET A 105 -12.517 -3.067 1.180 1.00 0.00 H new ATOM 0 HG3 MET A 105 -11.884 -1.731 0.240 1.00 0.00 H new ATOM 0 HE1 MET A 105 -14.689 -0.520 -1.210 1.00 0.00 H new ATOM 0 HE2 MET A 105 -15.243 -1.195 0.341 1.00 0.00 H new ATOM 0 HE3 MET A 105 -13.588 -0.556 0.188 1.00 0.00 H new ATOM 1718 N SER A 106 -13.755 -5.477 -2.173 1.00 0.00 N ATOM 1719 CA SER A 106 -14.395 -5.612 -3.511 1.00 0.00 C ATOM 1720 C SER A 106 -14.756 -4.240 -4.083 1.00 0.00 C ATOM 1721 O SER A 106 -15.820 -4.054 -4.642 1.00 0.00 O ATOM 1722 CB SER A 106 -15.658 -6.462 -3.389 1.00 0.00 C ATOM 1723 OG SER A 106 -15.923 -6.723 -2.017 1.00 0.00 O ATOM 0 H SER A 106 -14.370 -5.655 -1.379 1.00 0.00 H new ATOM 0 HA SER A 106 -13.688 -6.094 -4.186 1.00 0.00 H new ATOM 0 HB2 SER A 106 -16.503 -5.943 -3.841 1.00 0.00 H new ATOM 0 HB3 SER A 106 -15.532 -7.399 -3.931 1.00 0.00 H new ATOM 0 HG SER A 106 -16.268 -5.911 -1.590 1.00 0.00 H new ATOM 1729 N LEU A 107 -13.877 -3.282 -3.976 1.00 0.00 N ATOM 1730 CA LEU A 107 -14.175 -1.945 -4.545 1.00 0.00 C ATOM 1731 C LEU A 107 -14.228 -2.078 -6.067 1.00 0.00 C ATOM 1732 O LEU A 107 -13.737 -3.037 -6.628 1.00 0.00 O ATOM 1733 CB LEU A 107 -13.073 -0.958 -4.138 1.00 0.00 C ATOM 1734 CG LEU A 107 -13.378 0.421 -4.717 1.00 0.00 C ATOM 1735 CD1 LEU A 107 -12.856 1.500 -3.766 1.00 0.00 C ATOM 1736 CD2 LEU A 107 -12.684 0.557 -6.074 1.00 0.00 C ATOM 0 H LEU A 107 -12.969 -3.370 -3.520 1.00 0.00 H new ATOM 0 HA LEU A 107 -15.129 -1.573 -4.171 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -13.006 -0.900 -3.052 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -12.106 -1.309 -4.499 1.00 0.00 H new ATOM 0 HG LEU A 107 -14.454 0.539 -4.840 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -13.073 2.485 -4.179 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -13.343 1.397 -2.796 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -11.779 1.387 -3.644 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -12.897 1.540 -6.495 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -11.608 0.443 -5.945 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -13.052 -0.215 -6.750 1.00 0.00 H new ATOM 1748 N VAL A 108 -14.817 -1.135 -6.742 1.00 0.00 N ATOM 1749 CA VAL A 108 -14.898 -1.223 -8.228 1.00 0.00 C ATOM 1750 C VAL A 108 -14.167 -0.030 -8.835 1.00 0.00 C ATOM 1751 O VAL A 108 -14.573 1.102 -8.661 1.00 0.00 O ATOM 1752 CB VAL A 108 -16.367 -1.200 -8.662 1.00 0.00 C ATOM 1753 CG1 VAL A 108 -16.459 -0.885 -10.157 1.00 0.00 C ATOM 1754 CG2 VAL A 108 -16.999 -2.567 -8.393 1.00 0.00 C ATOM 0 H VAL A 108 -15.247 -0.306 -6.332 1.00 0.00 H new ATOM 0 HA VAL A 108 -14.438 -2.150 -8.570 1.00 0.00 H new ATOM 0 HB VAL A 108 -16.897 -0.433 -8.097 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -17.505 -0.870 -10.462 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -16.010 0.089 -10.352 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -15.927 -1.650 -10.723 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -18.044 -2.552 -8.701 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -16.465 -3.332 -8.957 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -16.938 -2.793 -7.328 1.00 0.00 H new ATOM 1764 N GLY A 109 -13.089 -0.268 -9.537 1.00 0.00 N ATOM 1765 CA GLY A 109 -12.333 0.871 -10.136 1.00 0.00 C ATOM 1766 C GLY A 109 -12.242 1.977 -9.090 1.00 0.00 C ATOM 1767 O GLY A 109 -13.061 2.873 -9.048 1.00 0.00 O ATOM 0 H GLY A 109 -12.702 -1.194 -9.720 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -11.336 0.550 -10.439 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -12.837 1.234 -11.032 1.00 0.00 H new ATOM 1771 N LEU A 110 -11.273 1.888 -8.222 1.00 0.00 N ATOM 1772 CA LEU A 110 -11.124 2.896 -7.136 1.00 0.00 C ATOM 1773 C LEU A 110 -11.520 4.294 -7.616 1.00 0.00 C ATOM 1774 O LEU A 110 -11.538 4.584 -8.796 1.00 0.00 O ATOM 1775 CB LEU A 110 -9.687 2.909 -6.657 1.00 0.00 C ATOM 1776 CG LEU A 110 -9.638 2.441 -5.210 1.00 0.00 C ATOM 1777 CD1 LEU A 110 -9.072 1.021 -5.146 1.00 0.00 C ATOM 1778 CD2 LEU A 110 -8.738 3.391 -4.431 1.00 0.00 C ATOM 0 H LEU A 110 -10.569 1.150 -8.219 1.00 0.00 H new ATOM 0 HA LEU A 110 -11.788 2.620 -6.317 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -9.076 2.258 -7.283 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -9.272 3.913 -6.741 1.00 0.00 H new ATOM 0 HG LEU A 110 -10.640 2.437 -4.781 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -9.038 0.689 -4.108 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -9.709 0.349 -5.721 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -8.065 1.012 -5.563 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -8.689 3.073 -3.389 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -7.737 3.379 -4.862 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -9.143 4.401 -4.483 1.00 0.00 H new ATOM 1790 N ASN A 111 -11.869 5.150 -6.694 1.00 0.00 N ATOM 1791 CA ASN A 111 -12.312 6.521 -7.070 1.00 0.00 C ATOM 1792 C ASN A 111 -11.730 7.572 -6.126 1.00 0.00 C ATOM 1793 O ASN A 111 -11.950 8.752 -6.311 1.00 0.00 O ATOM 1794 CB ASN A 111 -13.831 6.560 -6.955 1.00 0.00 C ATOM 1795 CG ASN A 111 -14.398 7.558 -7.963 1.00 0.00 C ATOM 1796 OD1 ASN A 111 -15.057 7.115 -8.997 1.00 0.00 O flip ATOM 1797 ND2 ASN A 111 -14.241 8.753 -7.807 1.00 0.00 N flip ATOM 0 H ASN A 111 -11.866 4.957 -5.692 1.00 0.00 H new ATOM 0 HA ASN A 111 -11.972 6.743 -8.081 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -14.245 5.568 -7.138 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -14.122 6.845 -5.944 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -13.725 9.098 -6.998 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -14.625 9.411 -8.485 1.00 0.00 H new ATOM 1804 N ALA A 112 -11.037 7.167 -5.094 1.00 0.00 N ATOM 1805 CA ALA A 112 -10.492 8.160 -4.115 1.00 0.00 C ATOM 1806 C ALA A 112 -11.609 8.533 -3.132 1.00 0.00 C ATOM 1807 O ALA A 112 -11.378 8.758 -1.961 1.00 0.00 O ATOM 1808 CB ALA A 112 -10.009 9.417 -4.843 1.00 0.00 C ATOM 0 H ALA A 112 -10.824 6.192 -4.885 1.00 0.00 H new ATOM 0 HA ALA A 112 -9.647 7.723 -3.583 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -9.616 10.129 -4.118 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -9.224 9.149 -5.550 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -10.843 9.869 -5.380 1.00 0.00 H new ATOM 1814 N ASP A 113 -12.823 8.585 -3.609 1.00 0.00 N ATOM 1815 CA ASP A 113 -13.981 8.913 -2.747 1.00 0.00 C ATOM 1816 C ASP A 113 -13.944 8.036 -1.499 1.00 0.00 C ATOM 1817 O ASP A 113 -14.458 8.389 -0.456 1.00 0.00 O ATOM 1818 CB ASP A 113 -15.244 8.601 -3.546 1.00 0.00 C ATOM 1819 CG ASP A 113 -16.097 9.863 -3.679 1.00 0.00 C ATOM 1820 OD1 ASP A 113 -15.536 10.905 -3.974 1.00 0.00 O ATOM 1821 OD2 ASP A 113 -17.297 9.767 -3.484 1.00 0.00 O ATOM 0 H ASP A 113 -13.060 8.408 -4.585 1.00 0.00 H new ATOM 0 HA ASP A 113 -13.959 9.960 -2.446 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -14.977 8.226 -4.534 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -15.815 7.816 -3.050 1.00 0.00 H new ATOM 1826 N ASP A 114 -13.344 6.888 -1.612 1.00 0.00 N ATOM 1827 CA ASP A 114 -13.269 5.962 -0.456 1.00 0.00 C ATOM 1828 C ASP A 114 -11.863 6.000 0.137 1.00 0.00 C ATOM 1829 O ASP A 114 -11.648 5.632 1.274 1.00 0.00 O ATOM 1830 CB ASP A 114 -13.592 4.551 -0.946 1.00 0.00 C ATOM 1831 CG ASP A 114 -15.098 4.427 -1.187 1.00 0.00 C ATOM 1832 OD1 ASP A 114 -15.849 5.044 -0.448 1.00 0.00 O ATOM 1833 OD2 ASP A 114 -15.474 3.715 -2.104 1.00 0.00 O ATOM 0 H ASP A 114 -12.898 6.549 -2.465 1.00 0.00 H new ATOM 0 HA ASP A 114 -13.982 6.258 0.314 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -13.047 4.340 -1.866 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -13.269 3.816 -0.209 1.00 0.00 H new ATOM 1838 N PHE A 115 -10.903 6.451 -0.620 1.00 0.00 N ATOM 1839 CA PHE A 115 -9.515 6.524 -0.094 1.00 0.00 C ATOM 1840 C PHE A 115 -9.227 7.958 0.364 1.00 0.00 C ATOM 1841 O PHE A 115 -9.762 8.902 -0.184 1.00 0.00 O ATOM 1842 CB PHE A 115 -8.531 6.111 -1.191 1.00 0.00 C ATOM 1843 CG PHE A 115 -8.603 4.611 -1.371 1.00 0.00 C ATOM 1844 CD1 PHE A 115 -9.807 4.012 -1.763 1.00 0.00 C ATOM 1845 CD2 PHE A 115 -7.471 3.821 -1.142 1.00 0.00 C ATOM 1846 CE1 PHE A 115 -9.875 2.621 -1.928 1.00 0.00 C ATOM 1847 CE2 PHE A 115 -7.541 2.431 -1.305 1.00 0.00 C ATOM 1848 CZ PHE A 115 -8.744 1.831 -1.698 1.00 0.00 C ATOM 0 H PHE A 115 -11.021 6.772 -1.581 1.00 0.00 H new ATOM 0 HA PHE A 115 -9.402 5.847 0.753 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -8.775 6.615 -2.126 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -7.518 6.411 -0.922 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -10.682 4.621 -1.938 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -6.543 4.283 -0.839 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -10.802 2.159 -2.233 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -6.667 1.822 -1.127 1.00 0.00 H new ATOM 0 HZ PHE A 115 -8.798 0.760 -1.823 1.00 0.00 H new ATOM 1858 N PRO A 116 -8.401 8.075 1.371 1.00 0.00 N ATOM 1859 CA PRO A 116 -8.032 9.381 1.943 1.00 0.00 C ATOM 1860 C PRO A 116 -7.319 10.245 0.892 1.00 0.00 C ATOM 1861 O PRO A 116 -6.415 9.777 0.228 1.00 0.00 O ATOM 1862 CB PRO A 116 -7.083 9.041 3.101 1.00 0.00 C ATOM 1863 CG PRO A 116 -6.991 7.499 3.201 1.00 0.00 C ATOM 1864 CD PRO A 116 -7.764 6.914 2.014 1.00 0.00 C ATOM 0 HA PRO A 116 -8.900 9.951 2.275 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -6.097 9.472 2.926 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -7.454 9.463 4.035 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -5.951 7.175 3.178 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -7.413 7.150 4.143 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -7.097 6.396 1.324 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -8.507 6.188 2.345 1.00 0.00 H new ATOM 1872 N PRO A 117 -7.743 11.480 0.775 1.00 0.00 N ATOM 1873 CA PRO A 117 -7.147 12.421 -0.190 1.00 0.00 C ATOM 1874 C PRO A 117 -5.652 12.590 0.091 1.00 0.00 C ATOM 1875 O PRO A 117 -4.902 13.033 -0.754 1.00 0.00 O ATOM 1876 CB PRO A 117 -7.899 13.741 0.027 1.00 0.00 C ATOM 1877 CG PRO A 117 -8.975 13.495 1.116 1.00 0.00 C ATOM 1878 CD PRO A 117 -8.838 12.039 1.587 1.00 0.00 C ATOM 0 HA PRO A 117 -7.233 12.072 -1.219 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -7.211 14.527 0.339 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -8.363 14.074 -0.901 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -8.838 14.182 1.951 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -9.973 13.675 0.716 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -8.607 11.988 2.651 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -9.765 11.486 1.435 1.00 0.00 H new ATOM 1886 N ALA A 118 -5.211 12.234 1.270 1.00 0.00 N ATOM 1887 CA ALA A 118 -3.760 12.369 1.592 1.00 0.00 C ATOM 1888 C ALA A 118 -2.942 11.806 0.432 1.00 0.00 C ATOM 1889 O ALA A 118 -2.070 12.458 -0.106 1.00 0.00 O ATOM 1890 CB ALA A 118 -3.442 11.578 2.861 1.00 0.00 C ATOM 0 H ALA A 118 -5.790 11.857 2.020 1.00 0.00 H new ATOM 0 HA ALA A 118 -3.514 13.419 1.748 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -2.382 11.677 3.095 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -4.035 11.966 3.690 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -3.682 10.526 2.704 1.00 0.00 H new ATOM 1896 N ASN A 119 -3.235 10.600 0.036 1.00 0.00 N ATOM 1897 CA ASN A 119 -2.502 9.981 -1.100 1.00 0.00 C ATOM 1898 C ASN A 119 -3.193 10.394 -2.396 1.00 0.00 C ATOM 1899 O ASN A 119 -3.463 9.586 -3.247 1.00 0.00 O ATOM 1900 CB ASN A 119 -2.549 8.458 -0.959 1.00 0.00 C ATOM 1901 CG ASN A 119 -1.528 8.011 0.085 1.00 0.00 C ATOM 1902 OD1 ASN A 119 -0.322 7.698 -0.294 1.00 0.00 O flip ATOM 1903 ND2 ASN A 119 -1.832 7.947 1.260 1.00 0.00 N flip ATOM 0 H ASN A 119 -3.956 10.013 0.454 1.00 0.00 H new ATOM 0 HA ASN A 119 -1.463 10.309 -1.107 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -3.549 8.140 -0.664 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -2.334 7.987 -1.918 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -2.777 8.192 1.556 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -1.142 7.648 1.950 1.00 0.00 H new ATOM 1910 N GLU A 120 -3.494 11.652 -2.529 1.00 0.00 N ATOM 1911 CA GLU A 120 -4.188 12.159 -3.745 1.00 0.00 C ATOM 1912 C GLU A 120 -3.409 11.854 -5.038 1.00 0.00 C ATOM 1913 O GLU A 120 -4.003 11.472 -6.024 1.00 0.00 O ATOM 1914 CB GLU A 120 -4.345 13.668 -3.605 1.00 0.00 C ATOM 1915 CG GLU A 120 -5.816 14.010 -3.367 1.00 0.00 C ATOM 1916 CD GLU A 120 -5.926 15.442 -2.839 1.00 0.00 C ATOM 1917 OE1 GLU A 120 -5.967 16.349 -3.652 1.00 0.00 O ATOM 1918 OE2 GLU A 120 -5.966 15.606 -1.631 1.00 0.00 O ATOM 0 H GLU A 120 -3.284 12.367 -1.832 1.00 0.00 H new ATOM 0 HA GLU A 120 -5.153 11.657 -3.822 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -3.738 14.032 -2.776 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -3.986 14.166 -4.506 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -6.379 13.909 -4.295 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -6.252 13.312 -2.652 1.00 0.00 H new ATOM 1925 N PRO A 121 -2.115 12.069 -5.022 1.00 0.00 N ATOM 1926 CA PRO A 121 -1.273 11.854 -6.218 1.00 0.00 C ATOM 1927 C PRO A 121 -1.435 10.455 -6.826 1.00 0.00 C ATOM 1928 O PRO A 121 -1.499 10.313 -8.030 1.00 0.00 O ATOM 1929 CB PRO A 121 0.162 12.085 -5.727 1.00 0.00 C ATOM 1930 CG PRO A 121 0.081 12.641 -4.282 1.00 0.00 C ATOM 1931 CD PRO A 121 -1.382 12.542 -3.829 1.00 0.00 C ATOM 0 HA PRO A 121 -1.559 12.531 -7.023 1.00 0.00 H new ATOM 0 HB2 PRO A 121 0.728 11.154 -5.747 1.00 0.00 H new ATOM 0 HB3 PRO A 121 0.681 12.788 -6.379 1.00 0.00 H new ATOM 0 HG2 PRO A 121 0.728 12.071 -3.615 1.00 0.00 H new ATOM 0 HG3 PRO A 121 0.423 13.676 -4.250 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -1.492 11.848 -2.996 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -1.758 13.508 -3.491 1.00 0.00 H new ATOM 1939 N VAL A 122 -1.487 9.423 -6.037 1.00 0.00 N ATOM 1940 CA VAL A 122 -1.624 8.060 -6.633 1.00 0.00 C ATOM 1941 C VAL A 122 -3.095 7.627 -6.623 1.00 0.00 C ATOM 1942 O VAL A 122 -3.545 6.930 -7.509 1.00 0.00 O ATOM 1943 CB VAL A 122 -0.756 7.083 -5.837 1.00 0.00 C ATOM 1944 CG1 VAL A 122 -1.400 5.694 -5.794 1.00 0.00 C ATOM 1945 CG2 VAL A 122 0.615 6.977 -6.506 1.00 0.00 C ATOM 0 H VAL A 122 -1.442 9.457 -5.019 1.00 0.00 H new ATOM 0 HA VAL A 122 -1.288 8.069 -7.670 1.00 0.00 H new ATOM 0 HB VAL A 122 -0.656 7.454 -4.817 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -0.765 5.016 -5.223 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -2.379 5.761 -5.319 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -1.515 5.315 -6.809 1.00 0.00 H new ATOM 0 HG21 VAL A 122 1.241 6.283 -5.945 1.00 0.00 H new ATOM 0 HG22 VAL A 122 0.495 6.614 -7.527 1.00 0.00 H new ATOM 0 HG23 VAL A 122 1.088 7.959 -6.523 1.00 0.00 H new ATOM 1955 N ILE A 123 -3.849 8.034 -5.645 1.00 0.00 N ATOM 1956 CA ILE A 123 -5.283 7.648 -5.625 1.00 0.00 C ATOM 1957 C ILE A 123 -5.922 8.271 -6.865 1.00 0.00 C ATOM 1958 O ILE A 123 -6.896 7.781 -7.393 1.00 0.00 O ATOM 1959 CB ILE A 123 -5.950 8.155 -4.323 1.00 0.00 C ATOM 1960 CG1 ILE A 123 -6.225 6.966 -3.394 1.00 0.00 C ATOM 1961 CG2 ILE A 123 -7.276 8.863 -4.620 1.00 0.00 C ATOM 1962 CD1 ILE A 123 -7.100 5.939 -4.116 1.00 0.00 C ATOM 0 H ILE A 123 -3.538 8.612 -4.865 1.00 0.00 H new ATOM 0 HA ILE A 123 -5.410 6.566 -5.642 1.00 0.00 H new ATOM 0 HB ILE A 123 -5.271 8.863 -3.848 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -5.285 6.506 -3.088 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -6.723 7.308 -2.487 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -7.721 9.208 -3.687 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -7.094 9.717 -5.273 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -7.957 8.169 -5.112 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -7.293 5.096 -3.453 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -8.045 6.402 -4.400 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -6.585 5.587 -5.010 1.00 0.00 H new ATOM 1974 N ALA A 124 -5.343 9.344 -7.339 1.00 0.00 N ATOM 1975 CA ALA A 124 -5.864 10.018 -8.558 1.00 0.00 C ATOM 1976 C ALA A 124 -5.872 9.008 -9.701 1.00 0.00 C ATOM 1977 O ALA A 124 -6.714 9.029 -10.577 1.00 0.00 O ATOM 1978 CB ALA A 124 -4.943 11.184 -8.914 1.00 0.00 C ATOM 0 H ALA A 124 -4.521 9.785 -6.925 1.00 0.00 H new ATOM 0 HA ALA A 124 -6.873 10.393 -8.385 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -5.318 11.684 -9.807 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.916 11.892 -8.086 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -3.937 10.809 -9.103 1.00 0.00 H new ATOM 1984 N LYS A 125 -4.919 8.128 -9.683 1.00 0.00 N ATOM 1985 CA LYS A 125 -4.804 7.089 -10.742 1.00 0.00 C ATOM 1986 C LYS A 125 -5.775 5.935 -10.476 1.00 0.00 C ATOM 1987 O LYS A 125 -6.393 5.422 -11.387 1.00 0.00 O ATOM 1988 CB LYS A 125 -3.371 6.572 -10.751 1.00 0.00 C ATOM 1989 CG LYS A 125 -2.427 7.767 -10.855 1.00 0.00 C ATOM 1990 CD LYS A 125 -2.821 8.628 -12.055 1.00 0.00 C ATOM 1991 CE LYS A 125 -1.944 9.878 -12.096 1.00 0.00 C ATOM 1992 NZ LYS A 125 -2.155 10.589 -13.389 1.00 0.00 N ATOM 0 H LYS A 125 -4.197 8.082 -8.964 1.00 0.00 H new ATOM 0 HA LYS A 125 -5.056 7.523 -11.709 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -3.167 6.006 -9.842 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -3.218 5.894 -11.591 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -2.470 8.358 -9.940 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -1.399 7.423 -10.964 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -2.705 8.059 -12.978 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -3.871 8.910 -11.984 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -2.190 10.536 -11.262 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -0.895 9.603 -11.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -1.558 11.440 -13.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -1.900 9.960 -14.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -3.154 10.863 -13.475 1.00 0.00 H new ATOM 2006 N LEU A 126 -5.929 5.516 -9.247 1.00 0.00 N ATOM 2007 CA LEU A 126 -6.885 4.402 -8.981 1.00 0.00 C ATOM 2008 C LEU A 126 -8.290 4.912 -9.272 1.00 0.00 C ATOM 2009 O LEU A 126 -9.221 4.157 -9.463 1.00 0.00 O ATOM 2010 CB LEU A 126 -6.786 3.935 -7.524 1.00 0.00 C ATOM 2011 CG LEU A 126 -5.355 3.468 -7.169 1.00 0.00 C ATOM 2012 CD1 LEU A 126 -4.418 3.515 -8.385 1.00 0.00 C ATOM 2013 CD2 LEU A 126 -4.792 4.378 -6.080 1.00 0.00 C ATOM 0 H LEU A 126 -5.444 5.889 -8.431 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.647 3.550 -9.618 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -7.078 4.749 -6.860 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.488 3.118 -7.355 1.00 0.00 H new ATOM 0 HG LEU A 126 -5.415 2.435 -6.826 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -3.424 3.179 -8.091 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -4.805 2.863 -9.168 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -4.360 4.537 -8.760 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -3.783 4.056 -5.823 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -4.764 5.405 -6.443 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -5.427 4.323 -5.196 1.00 0.00 H new ATOM 2025 N LYS A 127 -8.442 6.199 -9.352 1.00 0.00 N ATOM 2026 CA LYS A 127 -9.768 6.767 -9.686 1.00 0.00 C ATOM 2027 C LYS A 127 -10.122 6.254 -11.068 1.00 0.00 C ATOM 2028 O LYS A 127 -11.259 5.972 -11.390 1.00 0.00 O ATOM 2029 CB LYS A 127 -9.659 8.283 -9.736 1.00 0.00 C ATOM 2030 CG LYS A 127 -8.965 8.771 -8.469 1.00 0.00 C ATOM 2031 CD LYS A 127 -9.683 10.006 -7.922 1.00 0.00 C ATOM 2032 CE LYS A 127 -9.789 11.063 -9.022 1.00 0.00 C ATOM 2033 NZ LYS A 127 -10.709 12.151 -8.581 1.00 0.00 N ATOM 0 H LYS A 127 -7.702 6.884 -9.200 1.00 0.00 H new ATOM 0 HA LYS A 127 -10.520 6.485 -8.949 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -9.096 8.591 -10.617 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -10.650 8.730 -9.819 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -8.961 7.980 -7.719 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -7.924 9.011 -8.684 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -10.677 9.734 -7.567 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -9.138 10.408 -7.068 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -8.804 11.473 -9.243 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -10.159 10.610 -9.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -10.781 12.870 -9.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -11.651 11.753 -8.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -10.338 12.590 -7.714 1.00 0.00 H new ATOM 2047 N ARG A 128 -9.115 6.127 -11.874 1.00 0.00 N ATOM 2048 CA ARG A 128 -9.293 5.626 -13.254 1.00 0.00 C ATOM 2049 C ARG A 128 -9.351 4.096 -13.206 1.00 0.00 C ATOM 2050 O ARG A 128 -9.838 3.451 -14.113 1.00 0.00 O ATOM 2051 CB ARG A 128 -8.097 6.070 -14.109 1.00 0.00 C ATOM 2052 CG ARG A 128 -7.436 7.317 -13.507 1.00 0.00 C ATOM 2053 CD ARG A 128 -6.705 8.091 -14.606 1.00 0.00 C ATOM 2054 NE ARG A 128 -7.606 9.134 -15.168 1.00 0.00 N ATOM 2055 CZ ARG A 128 -7.106 10.114 -15.868 1.00 0.00 C ATOM 2056 NH1 ARG A 128 -6.014 9.932 -16.558 1.00 0.00 N ATOM 2057 NH2 ARG A 128 -7.699 11.277 -15.878 1.00 0.00 N ATOM 0 H ARG A 128 -8.152 6.356 -11.627 1.00 0.00 H new ATOM 0 HA ARG A 128 -10.211 6.021 -13.689 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -7.369 5.261 -14.174 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -8.429 6.282 -15.125 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -8.190 7.952 -13.041 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -6.735 7.027 -12.724 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -5.805 8.554 -14.201 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -6.386 7.409 -15.394 1.00 0.00 H new ATOM 0 HE ARG A 128 -8.612 9.082 -15.006 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -5.551 9.023 -16.550 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -5.623 10.699 -17.106 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -8.553 11.419 -15.338 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -7.308 12.044 -16.425 1.00 0.00 H new ATOM 2071 N LEU A 129 -8.853 3.518 -12.142 1.00 0.00 N ATOM 2072 CA LEU A 129 -8.869 2.032 -12.009 1.00 0.00 C ATOM 2073 C LEU A 129 -10.283 1.511 -12.281 1.00 0.00 C ATOM 2074 O LEU A 129 -10.419 0.327 -12.543 1.00 0.00 O ATOM 2075 CB LEU A 129 -8.441 1.640 -10.590 1.00 0.00 C ATOM 2076 CG LEU A 129 -7.229 0.714 -10.656 1.00 0.00 C ATOM 2077 CD1 LEU A 129 -6.123 1.378 -11.478 1.00 0.00 C ATOM 2078 CD2 LEU A 129 -6.712 0.454 -9.240 1.00 0.00 C ATOM 2079 OXT LEU A 129 -11.206 2.308 -12.223 1.00 0.00 O ATOM 0 H LEU A 129 -8.434 4.016 -11.356 1.00 0.00 H new ATOM 0 HA LEU A 129 -8.177 1.595 -12.729 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -8.198 2.532 -10.013 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -9.263 1.143 -10.076 1.00 0.00 H new ATOM 0 HG LEU A 129 -7.518 -0.228 -11.123 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -5.258 0.717 -11.525 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -6.486 1.572 -12.487 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -5.836 2.319 -11.008 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -5.846 -0.207 -9.284 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -6.424 1.399 -8.779 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -7.497 -0.015 -8.647 1.00 0.00 H new